N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | E851-1866 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 394.54 |
| Molecular Formula: | C22 H26 N4 O S |
| Smiles: | CSc1ccc(CCNC(c2cnn3C4CCCCCCC=4C=Nc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.611 |
| logD: | 4.611 |
| logSw: | -4.1651 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.987 |
| InChI Key: | VFPVGCGHPPAISQ-UHFFFAOYSA-N |