2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0600 |
| Compound Name: | 2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 547.65 |
| Molecular Formula: | C30 H30 F N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C(CSC1=Nc2cc(ccc2C(N1CC(C)C)=O)C(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.148 |
| logD: | 5.1479 |
| logSw: | -4.8979 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.826 |
| InChI Key: | ASKXVTFRRFHLFP-UHFFFAOYSA-N |