N-[1-(adamantan-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[1-(adamantan-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-3703 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 458.67 |
| Molecular Formula: | C29 H34 N2 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NC(C)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1174 |
| logD: | 7.117 |
| logSw: | -5.5332 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.84 |
| InChI Key: | XQCUTLBFRHEEGX-PGGMPKIUSA-N |