2-(azepane-1-carbonyl)-N-butyl-N-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-butyl-N-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
2-(azepane-1-carbonyl)-N-butyl-N-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
| Compound ID: | L305-1688 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-butyl-N-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
| Molecular Weight: | 453.62 |
| Molecular Formula: | C21 H31 N3 O4 S2 |
| Smiles: | CCCCN(CC)S(c1ccc2c(c1)NC(C(C(N1CCCCCC1)=O)S2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6353 |
| logD: | 3.6352 |
| logSw: | -3.686 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.446 |
| InChI Key: | PZIRBRNWTRQPJK-IBGZPJMESA-N |