Chemical ID: 4114159

c1ccc(cc1)c2cc(nc(n2)SCC(=O)N3CCc4ccccc4C3)O
Chemical ID:
4114159
Name [?]:
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-hydroxy-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)SCC(=O)N3CCc4ccccc4C3)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.1504
Area:600.129
Solvation:-3.85287
Coulombic:-46.2164
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:377.461
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.52
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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