N-[(4-methylphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carboxamide
N-[(4-methylphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E959-1527 |
| Compound Name: | N-[(4-methylphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | Cc1ccc(CNC(C2CCN(CC2)S(c2ccc3c(c2)NC(CS3)=O)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1713 |
| logD: | 2.1713 |
| logSw: | -2.7835 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.184 |
| InChI Key: | FIMQVSHJXFVXJN-UHFFFAOYSA-N |