4-{[2-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-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-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
4-{[2-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4796 |
| Compound Name: | 4-{[2-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 602.71 |
| Molecular Formula: | C32 H34 N4 O6 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)SC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCc1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5152 |
| logD: | 5.5152 |
| logSw: | -5.4304 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.604 |
| InChI Key: | XVUIPKHWOOLKGS-ZAFMFWTISA-N |