이름: ethyl 4-cyano-2-(ethylamino)-5-{[(1R)-1-methylpropyl]amino}benzoate
SMILES:
CCNc1cc(C#N)c(N[C@H](C)CC)cc1C(=O)OCCMolecular Processing
Molecular formula
C16H23N3O2
Molecular weight
289.38
Exact mass
289.179
XLogP
3.38
TPSA
74.15
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
84.65
Supplementary Information
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