이름: 4-{[(1S,2R)-2-(ethanimidoylamino)cyclohexyl]amino}-N-(2-methoxyethyl)-6-methylquinazolin-2-carboxamide
SMILES:
COCCNC(=O)c1nc(N[C@H]2CCCC[C@H]2NC(C)=N)c2cc(C)ccc2n1Molecular Processing
Molecular formula
C21H30N6O2
Molecular weight
398.51
Exact mass
398.243
XLogP
2.62
TPSA
112.02
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
114.69
Supplementary Information
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