N,N-diethyl-4-[(3-nitrophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-4-[(3-nitrophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
N,N-diethyl-4-[(3-nitrophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
| Compound ID: | G549-0279 |
| Compound Name: | N,N-diethyl-4-[(3-nitrophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C19 H21 N3 O5 S2 |
| Smiles: | CCN(CC)S(c1ccc2c(c1)N(Cc1cccc(c1)[N+]([O-])=O)C(CS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4813 |
| logD: | 3.4813 |
| logSw: | -3.9657 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 80.097 |
| InChI Key: | RJSAJFYJHXEFGX-UHFFFAOYSA-N |