C1C(=O)NC2=C(N1CC3=CC=CC=C3)N=CC(=C2)CO
이름: 4-benzyl-7-(hydroxymethyl)-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILES: C1C(=O)NC2=C(N1CC3=CC=CC=C3)N=CC(=C2)CO

Molecular Processing

Molecular formula
C15H15N3O2
Molecular weight
269.3
Exact mass
269.1164
XLogP
1.53
TPSA
65.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
76.28

Supplementary Information

InChIKey: ALRUAXSXYLAIBB-UHFFFAOYSA-N
동의어
SCHEMBL709754ALRUAXSXYLAIBB-UHFFFAOYSA-N4-benzyl-7-(hydroxymethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one
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