Chemical ID: 5480807

Cc1c(c(=O)[nH]c(n1)SCc2ccc(cc2)Br)Cc3ccccc3
Chemical ID:
5480807
Name [?]:
5-benzyl-2-[(4-bromophenyl)methylsulfanyl]-6-methyl-3H-pyrimidin-4-one
SMILES [?]:
Cc1c(c(=O)[nH]c(n1)SCc2ccc(cc2)Br)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17BrN2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.0064
Area:562.265
Solvation:-2.05019
Coulombic:-29.847
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:401.321
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.25
LogP (Chemaxon):5.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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