CCOC(=O)C1CC1CN2CCN(CC2)C3=CC=CC=C3C4CC(CC(C4)(C)C)(C)C
Name: ethyl 2-[[4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxylate
SMILES: CCOC(=O)C1CC1CN2CCN(CC2)C3=CC=CC=C3C4CC(CC(C4)(C)C)(C)C

Molecular Processing

Molecular formula
C27H42N2O2
Molecular weight
426.65
Exact mass
426.3246
XLogP
5.33
TPSA
32.78
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.741
Molar refractivity
127.48

Supplementary Information

InChIKey: WZXRZXFSWJYWHG-UHFFFAOYSA-N
Synonyme
SCHEMBL4857028WZXRZXFSWJYWHG-UHFFFAOYSA-N2-{4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazin-1-ylmethyl}cyclopropanecarboxylic acid ethyl ester
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