N-[1-(adamantan-1-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[1-(adamantan-1-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-4782 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 458.67 |
| Molecular Formula: | C29 H34 N2 O S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(C)NC(c1ccc2c(c1)N=C(CCC)c1ccccc1S2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0867 |
| logD: | 7.0865 |
| logSw: | -5.6901 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.84 |
| InChI Key: | YVMQIYXQSYDPPG-PGGMPKIUSA-N |