CC#CC(CC(=O)OCC)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1
SMILES: CC#CC(CC(=O)OCC)c1ccc(OCc2ccc(CN3CCC4(CC3)CN(C)c3ccccc34)cc2)cc1

Molecular Processing

Molecular formula
C35H40N2O3
Molecular weight
536.72
Exact mass
536.3039
XLogP
6.31
TPSA
42.01
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
160.56

Supplementary Information

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