N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | 5983-5230 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamide |
| Molecular Weight: | 405.38 |
| Molecular Formula: | C17 H15 N3 O7 S |
| Smiles: | COc1ccc(cc1NC(CCN1C(c2ccccc2S1(=O)=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0597 |
| logD: | 1.0168 |
| logSw: | -2.5202 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.626 |
| InChI Key: | CPCJRVNTADJTFG-UHFFFAOYSA-N |