ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-methylpyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-methylpyrimidine-5-carboxylate
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-methylpyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y020-1331 |
| Compound Name: | ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-6-methylpyrimidine-5-carboxylate |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C23 H19 N5 O2 S3 |
| Smiles: | CCOC(c1c(C)nc(Nc2nc3ccccc3s2)nc1CSc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8382 |
| logD: | 6.8279 |
| logSw: | -5.7854 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.024 |
| InChI Key: | VCATWHZJBIEXCN-UHFFFAOYSA-N |