الاسم: 1-[[(4-phenylmethyl-1-piperazinyl)carbonyl]amino]cyclohexanecarboxylic acid ethyl ester
SMILES:
CCOC(=O)C1(NC(=O)N2CCN(Cc3ccccc3)CC2)CCCCC1Molecular Processing
Molecular formula
C21H31N3O3
Molecular weight
373.5
Exact mass
373.2365
XLogP
2.78
TPSA
61.88
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
104.27
Supplementary Information
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