N-(3-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
N-(3-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
N-(3-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | 5983-5222 |
| Compound Name: | N-(3-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide |
| Molecular Weight: | 375.36 |
| Molecular Formula: | C16 H13 N3 O6 S |
| Smiles: | C(CN1C(c2ccccc2S1(=O)=O)=O)C(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5359 |
| logD: | 1.5343 |
| logSw: | -2.7141 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.693 |
| InChI Key: | BUBGKKRZTMBHNQ-UHFFFAOYSA-N |