methyl 4-{[1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carbonyl]amino}benzoate
methyl 4-{[1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E959-1637 |
| Compound Name: | methyl 4-{[1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C22 H23 N3 O6 S2 |
| Smiles: | COC(c1ccc(cc1)NC(C1CCN(CC1)S(c1ccc2c(c1)NC(CS2)=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1498 |
| logD: | 2.1494 |
| logSw: | -2.8718 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.035 |
| InChI Key: | JGBMDONCXASCOQ-UHFFFAOYSA-N |