N-{[4-(dimethylamino)phenyl]methyl}-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
N-{[4-(dimethylamino)phenyl]methyl}-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E589-1018 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C22 H27 N3 O4 S2 |
| Smiles: | CCC1C(Nc2cc(ccc2S1)S(CCC(NCc1ccc(cc1)N(C)C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6379 |
| logD: | 2.6225 |
| logSw: | -3.1828 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.157 |
| InChI Key: | YELINDVWBYOUBH-IBGZPJMESA-N |