CC(C)(C)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(Cl)nccn12
SMILES: CC(C)(C)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(Cl)nccn12

Molecular Processing

Molecular formula
C23H22ClN3O
Molecular weight
391.9
Exact mass
391.1451
XLogP
5.93
TPSA
39.42
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
112.91

Supplementary Information

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