N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)adamantane-1-carboxamide
N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | D336-1938 |
| Compound Name: | N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)adamantane-1-carboxamide |
| Molecular Weight: | 491.67 |
| Molecular Formula: | C27 H29 N3 O2 S2 |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6208 |
| logD: | 6.6206 |
| logSw: | -5.6523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.624 |
| InChI Key: | CZLMKPJUCZARER-UHFFFAOYSA-N |