N-(6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
N-(6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 2252-1532 |
| Compound Name: | N-(6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C18 H19 N3 O3 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4693 |
| logD: | 5.4684 |
| logSw: | -5.7888 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.506 |
| InChI Key: | VJKUVROKRLVCCG-UHFFFAOYSA-N |