Cc1cc2c(N3CCN(C(=O)OCC(Cl)(Cl)Cl)CC3)cccc2[nH]1
Name: 2,2,2-trichloroethyl 4-(2-methyl-1H-indol-4-yl)piperazine-1-carboxylate
SMILES: Cc1cc2c(N3CCN(C(=O)OCC(Cl)(Cl)Cl)CC3)cccc2[nH]1

Molecular Processing

Molecular formula
C16H18Cl3N3O2
Molecular weight
390.7
Exact mass
389.0465
XLogP
4.11
TPSA
48.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
98.46

Supplementary Information

InChIKey: OMUUORZLYMWWRD-UHFFFAOYSA-N
Synonyme
SCHEMBL7955631OMUUORZLYMWWRD-UHFFFAOYSA-N4-(2,2,2-trichloroethoxycarbonyl)-1-(2-methyl-1H-indol-4-yl)piperazine
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