ethyl 4-{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carbonyl}piperazine-1-carboxylate
ethyl 4-{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | A0015963 |
| Compound Name: | ethyl 4-{2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 564.7 |
| Molecular Formula: | C30 H36 N4 O5 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N(CCc3ccccc3)C(=Nc2c1)SCC(C(C)(C)C)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0796 |
| logD: | 4.0796 |
| logSw: | -4.2438 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.696 |
| InChI Key: | GAASGNGTTJKBLE-UHFFFAOYSA-N |