COC1=NC=C(C=C1)N(CC2=CNN=C2)C(=O)C3CCCC4=C3C=CC=C4OCC5=CC=CC=C5.Cl
이름: N-(6-methoxy-3-pyridinyl)-5-phenylmethoxy-N-(1H-pyrazol-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
SMILES: COC1=NC=C(C=C1)N(CC2=CNN=C2)C(=O)C3CCCC4=C3C=CC=C4OCC5=CC=CC=C5.Cl

Molecular Processing

Molecular formula
C28H29ClN4O3
Molecular weight
505.02
Exact mass
504.1928
XLogP
5.47
TPSA
80.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
140.71

Supplementary Information

InChIKey: KIUOORPRZNDEDI-UHFFFAOYSA-N
동의어
SCHEMBL1843281KIUOORPRZNDEDI-UHFFFAOYSA-N5-benzyloxy-N-(6-methoxypyridin-3-yl)-N-[(pyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide hydrochloride5-benzyloxy-N-[(pyrazol-4-yl)methyl]-N-(6-methoxypyridin-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide hydrochloride
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