N-(2-methyl-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2-methyl-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G115-0088 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C16 H15 N3 O5 S2 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5486 |
| logD: | 0.9147 |
| logSw: | -2.9934 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.423 |
| InChI Key: | ADZLQLKDZZAWSF-UHFFFAOYSA-N |