ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 7567-0472 |
| Compound Name: | ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C22 H18 N8 O2 S2 |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3s2)nc1CSc1nnnn1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.164 |
| logD: | 5.1621 |
| logSw: | -4.8678 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.809 |
| InChI Key: | XKTCAUZGTGXBGT-UHFFFAOYSA-N |