N-(2-methoxy-4-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2-methoxy-4-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2-methoxy-4-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G115-0087 |
| Compound Name: | N-(2-methoxy-4-nitrophenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C16 H15 N3 O6 S2 |
| Smiles: | COc1cc(ccc1NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2946 |
| logD: | -0.8473 |
| logSw: | -3.0725 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.354 |
| InChI Key: | JXBWWXAJTFHENE-UHFFFAOYSA-N |