ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 7377-5531 |
| Compound Name: | ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 440.91 |
| Molecular Formula: | C21 H17 Cl N4 O3 S |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3o2)nc1CSc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.724 |
| logD: | 5.7183 |
| logSw: | -5.8547 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.52 |
| InChI Key: | YQTLVEIYJUVYSS-UHFFFAOYSA-N |