Found 164 results

Search term: MF = 'C_{30}H_{33}N_{5}O_{5}S'
ChemSpider 2D Image | N-{(3S,4S)-7-Cyano-4-methyl-1-[(2-methyl-1-naphthyl)methyl]-5-[(methylsulfonyl)acetyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide | C30H33N5O5S

N-{(3S,4S)-7-Cyano-4-methyl-1-[(2-methyl-1-naphthyl)methyl]-5-[(methylsulfonyl)acetyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N2-methyl-L-alaninamide

  • Molecular FormulaC30H33N5O5S
  • Average mass575.679 Da
  • Monoisotopic mass575.220215 Da
  • ChemSpider ID30842073

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-{(3S,4S)-7-Cyan-4-methyl-1-[(2-methyl-1-naphthyl)methyl]-5-[(methylsulfonyl)acetyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N2-methyl-L-alaninamid [German] [ACD/IUPAC Name]
N-{(3S,4S)-7-Cyano-4-methyl-1-[(2-methyl-1-naphthyl)methyl]-5-[(methylsulfonyl)acetyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N2-methyl-L-alaninamide [ACD/IUPAC Name]
N-{(3S,4S)-7-Cyano-4-méthyl-1-[(2-méthyl-1-naphtyl)méthyl]-5-[2-(méthylsulfonyl)acétyl]-2-oxo-2,3,4,5-tétrahydro-1H-1,5-benzodiazépin-3-yl}-N2-méthyl-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, N-[(3S,4S)-7-cyano-2,3,4,5-tetrahydro-4-methyl-1-[(2-methyl-1-naphthalenyl)methyl]-5-[2-(methylsulfonyl)acetyl]-2-oxo-1H-1,5-benzodiazepin-3-yl]-2-(methylamino)-, (2S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 980.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.0±3.0 kJ/mol
Flash Point: 546.5±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.85
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 4.76
ACD/KOC (pH 7.4): 81.73
Polar Surface Area: 148 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 423.1±5.0 cm3

Click to predict properties on the Chemicalize site


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