rel-(5aR,8aR)-1-benzyl-7-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
Compound ID: | SB66-1140 |
Compound Name: | rel-(5aR,8aR)-1-benzyl-7-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
Molecular Weight: | 438.5 |
Molecular Formula: | C20 H24 F2 N4 O3 S |
Smiles: | Cc1c(cnn1C(F)F)S(N1C[C@H]2CCCC(N(Cc3ccccc3)[C@H]2C1)=O)(=O)=O |
Stereo: | RELATIVE |
logP: | 1.3856 |
logD: | 1.3856 |
logSw: | -2.1486 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 61.833 |
InChI Key: | JNEGMDKGHDKBFQ-DLBZAZTESA-N |