Name: N-(6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N'-phenylethylenediamine
SMILES:
CC1(C)CC(NCCNc2ccccc2)c2cc(C#N)ccc2O1Molecular Processing
Molecular formula
C20H23N3O
Molecular weight
321.42
Exact mass
321.1841
XLogP
3.86
TPSA
57.08
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
96.16
Supplementary Information
Details werden geladen…
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