COC(=O)c1cc(-c2ccc(C)cn2)c2ncn(CC(C)C)c2c1
SMILES: COC(=O)c1cc(-c2ccc(C)cn2)c2ncn(CC(C)C)c2c1

Molecular Processing

Molecular formula
C19H21N3O2
Molecular weight
323.4
Exact mass
323.1634
XLogP
3.85
TPSA
57.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
93.88

Supplementary Information

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