Name: N-(6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N'-benzylethylenediamine
SMILES:
CC1(C)CC(NCCNCc2ccccc2)c2cc(C#N)ccc2O1Molecular Processing
Molecular formula
C21H25N3O
Molecular weight
335.45
Exact mass
335.1998
XLogP
3.54
TPSA
57.08
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
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
0.381
Molar refractivity
99.37
Supplementary Information
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