methyl 4-{[1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carbonyl]amino}benzoate
methyl 4-{[1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | L306-0612 |
| Compound Name: | methyl 4-{[1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C22 H23 N3 O6 S2 |
| Smiles: | CN1C(=O)Sc2cc(ccc12)S(N1CCC(CC1)C(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2244 |
| logD: | 3.2239 |
| logSw: | -3.7269 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.825 |
| InChI Key: | XFOMHHWOWBZRIL-UHFFFAOYSA-N |