4-{[2-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-benzylcyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-benzylcyclohexane-1-carboxamide
4-{[2-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-benzylcyclohexane-1-carboxamide
Compound characteristics
Compound ID: | K284-4728 |
Compound Name: | 4-{[2-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-benzylcyclohexane-1-carboxamide |
Molecular Weight: | 612.75 |
Molecular Formula: | C34 H36 N4 O5 S |
Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCc1ccccc1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.7646 |
logD: | 5.7645 |
logSw: | -5.502 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 90.855 |
InChI Key: | AJOWHZONTDGTJD-YFIBMDDPSA-N |