N-[2-(azepan-1-yl)ethyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
N-[2-(azepan-1-yl)ethyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L306-0646 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 480.65 |
| Molecular Formula: | C22 H32 N4 O4 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCC(CC1)C(NCCN1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7377 |
| logD: | 0.955 |
| logSw: | -3.3759 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.128 |
| InChI Key: | QHAPKCSFCMTFPK-UHFFFAOYSA-N |