Chemical ID: 5781324

c1cc(sc1)CNC(CC(=O)c2ccc(cc2)C3CCCCC3)C(=O)O
Chemical ID:
5781324
Name [?]:
4-(4-cyclohexylphenyl)-4-oxo-2-(2-thienylmethylamino)butanoic acid
SMILES [?]:
c1cc(sc1)CNC(CC(=O)c2ccc(cc2)C3CCCCC3)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H25NO3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.4859
Area:606.32
Solvation:-3.67212
Coulombic:-45.6665
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.494
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.34
LogP (Chemaxon):1.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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