2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-1434 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 535.59 |
| Molecular Formula: | C28 H26 F N3 O5 S |
| Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SCC(c1ccc(c(c1)OC)OC)=O)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5618 |
| logD: | 3.5617 |
| logSw: | -3.9837 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.326 |
| InChI Key: | NJKCCSNMWNRUQT-UHFFFAOYSA-N |