4-{[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
4-{[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4731 |
| Compound Name: | 4-{[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(oxolan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 554.11 |
| Molecular Formula: | C29 H32 Cl N3 O4 S |
| Smiles: | C1CC(CNC(C2CCC(CC2)CN2C(=Nc3ccccc3C2=O)SCC(c2ccc(cc2)[Cl])=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5183 |
| logD: | 4.5183 |
| logSw: | -4.844 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.278 |
| InChI Key: | VKJVWMATGWNJAD-POOLCLQXSA-N |