N-[(4-fluorophenyl)methyl]-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-[(4-fluorophenyl)methyl]-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0594 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 517.62 |
| Molecular Formula: | C29 H28 F N3 O3 S |
| Smiles: | CC(C)CN1C(=Nc2cc(ccc2C1=O)C(NCc1ccc(cc1)F)=O)SCC(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2024 |
| logD: | 5.2023 |
| logSw: | -4.9134 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.703 |
| InChI Key: | HQHQPIJDSCQSFS-UHFFFAOYSA-N |