methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1498 |
| Compound Name: | methyl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 461.92 |
| Molecular Formula: | C21 H20 Cl N3 O5 S |
| Smiles: | COCCN1C(=Nc2cc(ccc2C1=O)C(=O)OC)SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7267 |
| logD: | 2.7266 |
| logSw: | -3.5851 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.989 |
| InChI Key: | SMAIAGOIDLHGKM-UHFFFAOYSA-N |