N-(2-methyl-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
N-(2-methyl-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
N-(2-methyl-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | 5983-5227 |
| Compound Name: | N-(2-methyl-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide |
| Molecular Weight: | 389.38 |
| Molecular Formula: | C17 H15 N3 O6 S |
| Smiles: | Cc1ccc(cc1NC(CCN1C(c2ccccc2S1(=O)=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.264 |
| logD: | 1.2612 |
| logSw: | -2.5643 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.995 |
| InChI Key: | KUIZUPOMRFLCGD-UHFFFAOYSA-N |