CC1=CC(=O)N(C2=C1C=CC(=C2)OC)CCC3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5
名称: 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclohexyl]ethyl]-7-methoxy-4-methylquinolin-2-one
SMILES: CC1=CC(=O)N(C2=C1C=CC(=C2)OC)CCC3CCC(CC3)NCC4=CC5=C(C=C4)OCCO5

Molecular Processing

Molecular formula
C28H34N2O4
Molecular weight
462.59
Exact mass
462.2519
XLogP
4.83
TPSA
61.72
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.464
Molar refractivity
134.13

Supplementary Information

InChIKey: CQVAOPAZRCXMPG-UHFFFAOYSA-N
同義語
SCHEMBL2794362CQVAOPAZRCXMPG-UHFFFAOYSA-N1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)cyclohexyl)ethyl)-7-methoxy-4-methylquinolin-2(1H)-one
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