CC1=CN(C2=CC(=C(C=C12)OC(=CCOC)C#N)C(C)C)C
名称: 2-(1,3-dimethyl-6-propan-2-ylindol-5-yl)oxy-4-methoxybut-2-enenitrile
SMILES: CC1=CN(C2=CC(=C(C=C12)OC(=CCOC)C#N)C(C)C)C

Molecular Processing

Molecular formula
C18H22N2O2
Molecular weight
298.39
Exact mass
298.1681
XLogP
4.04
TPSA
47.18
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
87.95

Supplementary Information

InChIKey: NHJRVGPSOPQXKU-UHFFFAOYSA-N
同義語
SCHEMBL1493990NHJRVGPSOPQXKU-UHFFFAOYSA-N2-(6-Isopropyl-1,3-dimethyl-1H-indol-5-yloxy)-4-methoxy-but-2-enenitrile
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