ChemSpider 2D Image | (2S,4S)-4-Hydroxy-N-isobutyl-2-isopropyl-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]butanamide | C37H48N4O7S

(2S,4S)-4-Hydroxy-N-isobutyl-2-isopropyl-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.15,9]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]butanamide

  • Molecular FormulaC37H48N4O7S
  • Average mass692.865 Da
  • Monoisotopic mass692.324341 Da
  • ChemSpider ID25057080

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2s,4s)-4-Hydroxy-2-(1-Methylethyl)-4-[(4r,13s)-18-[methyl(Methylsulfonyl)amino]-2,15-Dioxo-4-Phenyl-11-Oxa-3,14-Diazatricyclo[14.3.1.15,9]henicosa-1(20),5(21),6,8,16,18-Hexaen-13-Yl]-N-(2-Methylpropyl)butanamide
(2S,4S)-4-Hydroxy-N-isobutyl-2-isopropyl-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.15,9]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]butanamid [German] [ACD/IUPAC Name]
(2S,4S)-4-Hydroxy-N-isobutyl-2-isopropyl-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.15,9]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]butanamide [ACD/IUPAC Name]
(2S,4S)-4-Hydroxy-N-isobutyl-2-isopropyl-4-[(4R,13S)-18-[méthyl(méthylsulfonyl)amino]-2,15-dioxo-4-phényl-11-oxa-3,14-diazatricyclo[14.3.1.15,9]hénicosa-1(20),5(21),6,8,16,18-hexaén-13-yl]butanamide [French] [ACD/IUPAC Name]
11-Oxa-3,14-diazatricyclo[14.3.1.15,9]heneicosa-1(20),5,7,9(21),16,18-hexaene-13-butanamide, γ-hydroxy-α-(1-methylethyl)-18-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)-2,15-dioxo-4-phen yl-, (αS,γS,4R,13S)- [ACD/Index Name]
3OX

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.568
Molar Refractivity: 189.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 158.22
ACD/KOC (pH 5.5): 1305.69
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.22
ACD/KOC (pH 7.4): 1305.69
Polar Surface Area: 163 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 578.3±3.0 cm3

Click to predict properties on the Chemicalize site


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