methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate
methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | C505-0586 |
| Compound Name: | methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 375.85 |
| Molecular Formula: | C16 H10 Cl N3 O2 S2 |
| Smiles: | COC(c1ccc2c(c1)sc(Nc1nc3ccc(cc3s1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0767 |
| logD: | 6.0767 |
| logSw: | -6.2594 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.847 |
| InChI Key: | ZBUCDPVNBJXIQH-UHFFFAOYSA-N |