ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(pyrimidin-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(pyrimidin-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(pyrimidin-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 7567-0155 |
| Compound Name: | ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(pyrimidin-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 408.44 |
| Molecular Formula: | C19 H16 N6 O3 S |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3o2)nc1CSc1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4607 |
| logD: | 3.455 |
| logSw: | -3.6 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.678 |
| InChI Key: | HMRLWRBYAKKORT-UHFFFAOYSA-N |