N-[(4-methylphenyl)methyl]-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
N-[(4-methylphenyl)methyl]-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K284-4681 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[(4-oxo-3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 623.82 |
| Molecular Formula: | C36 H41 N5 O3 S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3ccccc3C(N2CC2CCC(CC2)C(N2CCN(CC2)c2ccccc2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5737 |
| logD: | 5.5737 |
| logSw: | -5.4951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.343 |
| InChI Key: | JGRNPHBRBKYCAC-UHFFFAOYSA-N |