4-{[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
4-{[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4604 |
| Compound Name: | 4-{[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(2-chlorophenyl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 623.6 |
| Molecular Formula: | C32 H32 Cl2 N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0928 |
| logD: | 7.0927 |
| logSw: | -6.2296 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.526 |
| InChI Key: | JWLHWDDRLAJTFG-UHFFFAOYSA-N |