N-[(4-chlorophenyl)methyl]-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carboxamide
N-[(4-chlorophenyl)methyl]-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E966-1487 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-1-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 494.03 |
| Molecular Formula: | C22 H24 Cl N3 O4 S2 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(N1CCC(CC1)C(NCc1ccc(cc1)[Cl])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1637 |
| logD: | 3.1637 |
| logSw: | -3.6477 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.24 |
| InChI Key: | XIBAJIHGJUODGZ-CQSZACIVSA-N |