N-(adamantan-1-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(adamantan-1-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8107-1572 |
| Compound Name: | N-(adamantan-1-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C19 H22 N2 O4 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3176 |
| logD: | 2.3176 |
| logSw: | -3.0986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.351 |
| InChI Key: | NCDCSLQLANOYRS-UHFFFAOYSA-N |