6-(azepane-1-sulfonyl)-4-[(3-nitrophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[(3-nitrophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[(3-nitrophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | G549-0116 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[(3-nitrophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C21 H23 N3 O5 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(Cc1cccc(c1)[N+]([O-])=O)C(CS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1503 |
| logD: | 4.1503 |
| logSw: | -4.2489 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 81.042 |
| InChI Key: | CNEZRQUWTMTHDY-UHFFFAOYSA-N |