CCc1cc2c(cc1N1CCC(N3CCNC(=O)C3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
SMILES: CCc1cc2c(cc1N1CCC(N3CCNC(=O)C3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O

Molecular Processing

Molecular formula
C30H33N5O2
Molecular weight
495.63
Exact mass
495.2634
XLogP
3.87
TPSA
92.23
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
37
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.433
Molar refractivity
144.21

Supplementary Information

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