2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0546 |
| Compound Name: | 2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 522.02 |
| Molecular Formula: | C27 H24 Cl N3 O4 S |
| Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SCC(c1cccc(c1)[Cl])=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5537 |
| logD: | 4.5536 |
| logSw: | -4.7353 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.609 |
| InChI Key: | IFKSYXQWWOKWAO-UHFFFAOYSA-N |