이름: 8-Benzyloxy-2-p-chlorophenyl-8-methyl-2,3,6,7,8,9-hexahydropyrazolo[4,3-c]quinolin-3(5H)-one
SMILES:
CC1(OCc2ccccc2)CCc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2C1Molecular Processing
Molecular formula
C24H22ClN3O2
Molecular weight
419.91
Exact mass
419.1401
XLogP
4.78
TPSA
59.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
117.48
Supplementary Information
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