ethyl 4-{2-[(3-{[4-(benzylcarbamoyl)cyclohexyl]methyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(3-{[4-(benzylcarbamoyl)cyclohexyl]methyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(3-{[4-(benzylcarbamoyl)cyclohexyl]methyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K284-4717 |
| Compound Name: | ethyl 4-{2-[(3-{[4-(benzylcarbamoyl)cyclohexyl]methyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 612.75 |
| Molecular Formula: | C34 H36 N4 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(NCc1ccccc1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.522 |
| logD: | 5.522 |
| logSw: | -5.4239 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.28 |
| InChI Key: | ZRHADMILCBEIJW-UHFFFAOYSA-N |