Chemical ID: 6450111

CCCCCc1c(nc([nH]c1=O)SCc2ccccc2)C
Chemical ID:
6450111
Name [?]:
2-benzylsulfanyl-6-methyl-5-pentyl-3H-pyrimidin-4-one
SMILES [?]:
CCCCCc1c(nc([nH]c1=O)SCc2ccccc2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H22N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.681
Area:537.983
Solvation:-1.76855
Coulombic:-29.5961
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.435
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.09
LogP (Chemaxon):4.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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