이름: 6-[2-methoxy-4-[[2-(4-methylphenyl)ethylamino]methyl]phenoxy]pyridine-3-carboxamide
SMILES:
CC1=CC=C(C=C1)CCNCC2=CC(=C(C=C2)OC3=NC=C(C=C3)C(=O)N)OCMolecular Processing
Molecular formula
C23H25N3O3
Molecular weight
391.47
Exact mass
391.1896
XLogP
3.62
TPSA
86.47
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
112.41
Supplementary Information
InChIKey: JVDJKQSXTSOQSM-UHFFFAOYSA-N
동의어
SCHEMBL3697714JVDJKQSXTSOQSM-UHFFFAOYSA-N6-{2-methoxy-4-[(2-p-tolylethylamino)methyl]phenoxy}nicotinamide
4개 반응에 참여→