N-[3-(methylsulfanyl)phenyl]-4-(2-phenyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl)benzamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-(2-phenyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl)benzamide
N-[3-(methylsulfanyl)phenyl]-4-(2-phenyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl)benzamide
Compound characteristics
| Compound ID: | E221-1325 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-(2-phenyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl)benzamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C29 H28 N2 O S |
| Smiles: | CSc1cccc(c1)NC(c1ccc(cc1)n1c(cc2CCCCCc12)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2653 |
| logD: | 7.2652 |
| logSw: | -5.584 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.9887 |
| InChI Key: | HFAMQBKFHNNCAP-UHFFFAOYSA-N |