N-[1-(adamantan-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[1-(adamantan-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0066 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C26 H28 N2 O2 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(C)NC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6117 |
| logD: | 5.6108 |
| logSw: | -5.4834 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.785 |
| InChI Key: | QQSCANGJPYZSLB-HDOKVFJDSA-N |