2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0522 |
| Compound Name: | 2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 538.02 |
| Molecular Formula: | C27 H24 Cl N3 O5 S |
| Smiles: | COCCNC(c1ccc2C(N(C(=Nc2c1)SCC(c1cccc(c1)[Cl])=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8925 |
| logD: | 3.8924 |
| logSw: | -4.4264 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.819 |
| InChI Key: | KJFGTKCPZWNRCB-UHFFFAOYSA-N |