1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide
1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L306-0647 |
| Compound Name: | 1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)-N-[2-(pyrrolidin-1-yl)ethyl]piperidine-4-carboxamide |
| Molecular Weight: | 452.59 |
| Molecular Formula: | C20 H28 N4 O4 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCC(CC1)C(NCCN1CCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8775 |
| logD: | -0.363 |
| logSw: | -2.7098 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.163 |
| InChI Key: | VCQKZRKKBWBTCV-UHFFFAOYSA-N |