Chemical ID: 5811150

Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
Chemical ID:
5811150
Name [?]:
1-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline
SMILES [?]:
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21N3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.6794
Area:521.095
Solvation:-2.348
Coulombic:-17.4944
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:311.446
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.94
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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