2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1147 |
| Compound Name: | 2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 525.99 |
| Molecular Formula: | C26 H21 Cl F N3 O4 S |
| Smiles: | COCCNC(c1ccc2C(N(C(=Nc2c1)SCC(c1cccc(c1)[Cl])=O)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9856 |
| logD: | 3.9855 |
| logSw: | -4.4997 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.275 |
| InChI Key: | BGDONEGPUXTKBH-UHFFFAOYSA-N |