ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 7399-0529 |
| Compound Name: | ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C21 H17 Cl N4 O2 S2 |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3s2)nc1CSc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4921 |
| logD: | 6.4903 |
| logSw: | -6.1415 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.887 |
| InChI Key: | DGCFWSYXSIRFRK-UHFFFAOYSA-N |