CC1(C)Oc2ccc(C#N)cc2C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C1O
SMILES: CC1(C)Oc2ccc(C#N)cc2C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C1O

Molecular Processing

Molecular formula
C29H23N5O3
Molecular weight
489.54
Exact mass
489.1801
XLogP
4.22
TPSA
105.44
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
37
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.172
Molar refractivity
138.13

Supplementary Information

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