CCCC1CN(CCN1C(=O)CC2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)OCC(=O)O
Name: 2-[4-chloro-2-[[(3S)-4-(2-phenylacetyl)-3-propylpiperazin-1-yl]methyl]phenoxy]acetic acid
SMILES: CCCC1CN(CCN1C(=O)CC2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)OCC(=O)O

Molecular Processing

Molecular formula
C24H29ClN2O4
Molecular weight
444.96
Exact mass
444.1816
XLogP
3.86
TPSA
70.08
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
120.41

Supplementary Information

InChIKey: LRZJRQDAHZPEFU-NRFANRHFSA-N
Synonyme
SCHEMBL1714108LRZJRQDAHZPEFU-NRFANRHFSA-N[4-Chloro-2-[[(3S)-4-(phenylacetyl)-3-propyl-1-piperazinyl]methyl]-phenoxy]-acetic Acid
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