ChemSpider 2D Image | LY-3000328 | C25H29FN4O5

LY-3000328

  • Molecular FormulaC25H29FN4O5
  • Average mass484.520 Da
  • Monoisotopic mass484.212189 Da
  • ChemSpider ID30922862

More details:

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

4-[(4-Fluorbenzoyl)amino]-6-[4-(3-oxetanyl)-1-piperazinyl]-3,4-dihydro-2H-chromen-3-yl-methylcarbamat [German] [ACD/IUPAC Name]
4-[(4-Fluorobenzoyl)amino]-6-[4-(3-oxetanyl)-1-piperazinyl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate [ACD/IUPAC Name]
Benzamide, N-[3,4-dihydro-3-[[(methylamino)carbonyl]oxy]-6-[4-(3-oxetanyl)-1-piperazinyl]-2H-1-benzopyran-4-yl]-4-fluoro- [ACD/Index Name]
LY-3000328
Méthylcarbamate de 4-[(4-fluorobenzoyl)amino]-6-[4-(3-oxétanyl)-1-pipérazinyl]-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
[(3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl] N-methylcarbamate
1373215-15-6 [RN]
Cathepsin S inhibitor
LY 3000328
LY3000328

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

1210T8CX6K [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 701.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.1±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 126.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.23
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 7.84
ACD/KOC (pH 7.4): 146.01
Polar Surface Area: 92 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 350.5±5.0 cm3

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