CC1(C)CC2CC(C)(CN2C(=O)c2ccc3c(c2)ncn3CCNC(=O)c2ccco2)C1
SMILES: CC1(C)CC2CC(C)(CN2C(=O)c2ccc3c(c2)ncn3CCNC(=O)c2ccco2)C1

Molecular Processing

Molecular formula
C25H30N4O3
Molecular weight
434.54
Exact mass
434.2318
XLogP
4.1
TPSA
80.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
121.34

Supplementary Information

Details werden geladen…

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