名称: 7-cyclohexyl-N-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
SMILES:
C1CCC(CC1)C2=CC3=C(CCC(=C3)C(=O)NC4=CC=C(C=C4)CN5CCCCC5)C=C2Molecular Processing
Molecular formula
C29H36N2O
Molecular weight
428.62
Exact mass
428.2828
XLogP
6.69
TPSA
32.34
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
132.77
Supplementary Information
InChIKey: BQNBGAIEEFZGIM-UHFFFAOYSA-N
同義語
SCHEMBL5205752BQNBGAIEEFZGIM-UHFFFAOYSA-N7-cyclohexyl-N-[4-(piperidinomethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
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