Cl.O=C(c1n[nH]c2c1CNC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1
الاسم: [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)methanone;hydrochloride
SMILES: Cl.O=C(c1n[nH]c2c1CNC2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1

Molecular Processing

Molecular formula
C18H18ClF5N4O
Molecular weight
436.81
Exact mass
436.1089
XLogP
3.75
TPSA
61.02
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.444
Molar refractivity
95.62

Supplementary Information

InChIKey: IGGHTDVEWVAEON-UHFFFAOYSA-N
مرادفات
(4-(3,4-difluoro-2-(trifluoromethyl)phenyl)piperidin-1-yl)(1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl) methanone hydrochloride saltSCHEMBL17222885(4-(3,4-Difluoro-2-(trifluoromethyl)phenyl)piperidin-1-yl)(1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)methanone Hydrochloride
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