4-[(4-oxoquinazolin-3(4H)-yl)methyl]-N-[2-(phenylsulfanyl)ethyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-[(4-oxoquinazolin-3(4H)-yl)methyl]-N-[2-(phenylsulfanyl)ethyl]cyclohexane-1-carboxamide
4-[(4-oxoquinazolin-3(4H)-yl)methyl]-N-[2-(phenylsulfanyl)ethyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y040-9832 |
| Compound Name: | 4-[(4-oxoquinazolin-3(4H)-yl)methyl]-N-[2-(phenylsulfanyl)ethyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C24 H27 N3 O2 S |
| Smiles: | C1C[C@@H](CC[C@H]1C(NCCSc1ccccc1)=O)CN1C=Nc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.4977 |
| logD: | 3.4977 |
| logSw: | -3.912 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.786 |
| InChI Key: | BGNFGGGRWJFCEC-UHFFFAOYSA-N |