N-[4-(adamantan-2-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[4-(adamantan-2-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[4-(adamantan-2-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 6415-1525 |
| Compound Name: | N-[4-(adamantan-2-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C25 H26 N2 O4 S |
| Smiles: | [H][C@]12C[C@]3([H])C[C@]([H])(C1)C(c1ccc(cc1)NC(CN1C(c4ccccc4S1(=O)=O)=O)=O)[C@]([H])(C2)C3 |
| Stereo: | ACHIRAL |
| logP: | 4.102 |
| logD: | 4.102 |
| logSw: | -4.5231 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.095 |
| InChI Key: | AIQGDDVFHAFKQY-UHFFFAOYSA-N |