ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-methyl-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-methyl-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-methyl-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 6809-0109 |
| Compound Name: | ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-methyl-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C23 H22 N4 O2 S2 |
| Smiles: | CCOC(c1c(C)nc(Nc2nc3ccccc3s2)nc1CSc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5694 |
| logD: | 6.5591 |
| logSw: | -5.7606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.942 |
| InChI Key: | QDCKRKAGUXGING-UHFFFAOYSA-N |