N-(4-ethoxyphenyl)-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
N-(4-ethoxyphenyl)-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K284-4503 |
| Compound Name: | N-(4-ethoxyphenyl)-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 639.82 |
| Molecular Formula: | C36 H41 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CC1CCC(CC1)C(N1CCN(CC1)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.838 |
| logD: | 5.8379 |
| logSw: | -5.5517 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.145 |
| InChI Key: | VQVLBFKVHOLGEQ-UHFFFAOYSA-N |