Found 225 results

Search term: MF = 'C_{18}H_{27}N_{7}OS'
ChemSpider 2D Image | (3aR,6aR)-N-Isopropyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide | C18H27N7OS

(3aR,6aR)-N-Isopropyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide

  • Molecular FormulaC18H27N7OS
  • Average mass389.518 Da
  • Monoisotopic mass389.199768 Da
  • ChemSpider ID71296710

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aR)-N-Isopropyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-carboxamid [German] [ACD/IUPAC Name]
(3aR,6aR)-N-Isopropyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide [ACD/IUPAC Name]
(3aR,6aR)-N-Isopropyl-5-[(4-méthyl-1,3-thiazol-5-yl)méthyl]-3a-(3-méthyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxamide [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-2(1H)-carboxamide, hexahydro-N-(1-methylethyl)-5-[(4-methyl-5-thiazolyl)methyl]-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-, (3aR,6aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.22
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.70
ACD/KOC (pH 7.4): 65.14
Polar Surface Area: 118 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 295.8±3.0 cm3

Click to predict properties on the Chemicalize site


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