N-(4-methyl-2-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
N-(4-methyl-2-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
N-(4-methyl-2-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | 5983-5229 |
| Compound Name: | N-(4-methyl-2-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(c(c1)[N+]([O-])=O)NC(CCN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7567 |
| logD: | 1.7218 |
| logSw: | -2.8532 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.694 |
| InChI Key: | AIYMUMPAQPGPBN-UHFFFAOYSA-N |