ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8137-0738 |
| Compound Name: | ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C20 H18 N6 O2 S2 |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3s2)nc1CSc1nccc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8158 |
| logD: | 4.8139 |
| logSw: | -4.4409 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.419 |
| InChI Key: | MOOMFALCAZGADS-UHFFFAOYSA-N |