3-benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one
Chemical Structure Depiction of
3-benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one
3-benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one
Compound characteristics
| Compound ID: | 8011-5137 |
| Compound Name: | 3-benzyl-2-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C21 H16 N2 O3 S |
| Smiles: | C(c1ccccc1)N1C(c2ccc(cc2)[N+]([O-])=O)Sc2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6684 |
| logD: | 4.6684 |
| logSw: | -4.8242 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.211 |
| InChI Key: | LIROUGBYAOFTDQ-NRFANRHFSA-N |