ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 6809-0106 |
| Compound Name: | ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C22 H20 N4 O2 S2 |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3s2)nc1CSc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3208 |
| logD: | 6.3189 |
| logSw: | -5.3802 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.887 |
| InChI Key: | YWNNWLQHVKFZCY-UHFFFAOYSA-N |