N-(3-methylbutyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(3-methylbutyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(3-methylbutyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C114-0006 |
| Compound Name: | N-(3-methylbutyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 310.37 |
| Molecular Formula: | C14 H18 N2 O4 S |
| Smiles: | CC(C)CCNC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9302 |
| logD: | 0.9302 |
| logSw: | -2.4429 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.768 |
| InChI Key: | HPGCJDHBVSXILB-UHFFFAOYSA-N |