methyl 3-{[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]carbamamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]carbamamido}thiophene-2-carboxylate
methyl 3-{[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]carbamamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | M072-0418 |
| Compound Name: | methyl 3-{[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]carbamamido}thiophene-2-carboxylate |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C17 H17 N3 O5 S3 |
| Smiles: | CCCS(c1nc2ccc(cc2s1)NC(Nc1ccsc1C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8231 |
| logD: | 3.8185 |
| logSw: | -3.9516 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.567 |
| InChI Key: | TZAALIFBMVYDCU-UHFFFAOYSA-N |