COCCOc1ccn2c(C(=O)Nc3cccc4c3c(C3CC3)nn4Cc3ccccc3)cnc2c1
SMILES: COCCOc1ccn2c(C(=O)Nc3cccc4c3c(C3CC3)nn4Cc3ccccc3)cnc2c1

Molecular Processing

Molecular formula
C28H27N5O3
Molecular weight
481.56
Exact mass
481.2114
XLogP
4.89
TPSA
82.68
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
36
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
137.77

Supplementary Information

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