ethyl 4-{2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K284-4506 |
| Compound Name: | ethyl 4-{2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 667.83 |
| Molecular Formula: | C37 H41 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(N1CCN(CC1)c1ccccc1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0704 |
| logD: | 6.0703 |
| logSw: | -5.5522 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.775 |
| InChI Key: | RBPNBTWGOOSYRD-UHFFFAOYSA-N |