2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1411 |
| Compound Name: | 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 519.59 |
| Molecular Formula: | C28 H26 F N3 O4 S |
| Smiles: | Cc1ccc(C(CSC2=Nc3cc(ccc3C(N2c2ccc(cc2)F)=O)C(NCCOC)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1607 |
| logD: | 4.1606 |
| logSw: | -4.2561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.275 |
| InChI Key: | ZULIGHYEEUPPQK-UHFFFAOYSA-N |