N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L306-0632 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C23 H25 N5 O4 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCC(CC1)C(NCCc1nc2ccccc2[nH]1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8737 |
| logD: | 2.8603 |
| logSw: | -3.5499 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.096 |
| InChI Key: | LLVPMTGEZMGQIJ-UHFFFAOYSA-N |