2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
Compound ID: | SB66-0625 |
Compound Name: | 2-[rel-(5aR,8aR)-7-(methanesulfonyl)-2-oxooctahydropyrrolo[3,4-b]azepin-1(2H)-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide |
Molecular Weight: | 447.48 |
Molecular Formula: | C19 H24 F3 N3 O4 S |
Smiles: | CS(N1C[C@H]2CCCC(N(CC(NCc3ccc(cc3)C(F)(F)F)=O)[C@H]2C1)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 1.4076 |
logD: | 1.4076 |
logSw: | -2.4392 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.482 |
InChI Key: | HKNYVBKZJMEINF-GOEBONIOSA-N |