Название: N-[3-[1-(4-phenylsulfanylbutyl)piperidin-4-yl]phenyl]cyclopropanecarboxamide
SMILES:
C1CC1C(=O)NC2=CC=CC(=C2)C3CCN(CC3)CCCCSC4=CC=CC=C4Molecular Processing
Molecular formula
C25H32N2OS
Molecular weight
408.61
Exact mass
408.2235
XLogP
5.79
TPSA
32.34
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
122.61
Supplementary Information
InChIKey: VEWVRUOEGUQBCM-UHFFFAOYSA-N
Синонимы
SCHEMBL14619828VEWVRUOEGUQBCM-UHFFFAOYSA-NN-(3-{1-[4-(PHENYLSULFANYL)BUTYL]-4-PIPERIDINYL}PHENYL)CYCLOPROPANECARBOXAMIDE
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