ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}-6-methylpyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}-6-methylpyrimidine-5-carboxylate
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}-6-methylpyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 7399-0530 |
| Compound Name: | ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(4-chlorophenyl)sulfanyl]methyl}-6-methylpyrimidine-5-carboxylate |
| Molecular Weight: | 471 |
| Molecular Formula: | C22 H19 Cl N4 O2 S2 |
| Smiles: | CCOC(c1c(C)nc(Nc2nc3ccccc3s2)nc1CSc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.7408 |
| logD: | 6.7304 |
| logSw: | -6.3728 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.942 |
| InChI Key: | WOFKWHBTDFTXPI-UHFFFAOYSA-N |