N-(2-methyl-3-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(2-methyl-3-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 7016-1054 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 375.36 |
| Molecular Formula: | C16 H13 N3 O6 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4224 |
| logD: | 1.4217 |
| logSw: | -2.6381 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.716 |
| InChI Key: | IZKMDTHOMXXZBD-UHFFFAOYSA-N |