N-[(4-fluorophenyl)methyl]-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-[(4-fluorophenyl)methyl]-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0204 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 523.56 |
| Molecular Formula: | C27 H23 F2 N3 O4 S |
| Smiles: | COCCN1C(=Nc2cc(ccc2C1=O)C(NCc1ccc(cc1)F)=O)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3877 |
| logD: | 3.3876 |
| logSw: | -3.9137 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.024 |
| InChI Key: | XKYRRJSVEFBZSP-UHFFFAOYSA-N |