methyl 4-({7-[(2-methylpropyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl}sulfanyl)-3-oxobutanoate
Chemical Structure Depiction of
methyl 4-({7-[(2-methylpropyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl}sulfanyl)-3-oxobutanoate
methyl 4-({7-[(2-methylpropyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl}sulfanyl)-3-oxobutanoate
Compound characteristics
| Compound ID: | F067-0170 |
| Compound Name: | methyl 4-({7-[(2-methylpropyl)carbamoyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl}sulfanyl)-3-oxobutanoate |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(CCc3ccccc3)C(=Nc2c1)SCC(CC(=O)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0135 |
| logD: | 3.0133 |
| logSw: | -3.5774 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.04 |
| InChI Key: | BOIFQCZCYLSIQW-UHFFFAOYSA-N |