Chemical ID: 5480769

Cc1c(c(=O)[nH]c(n1)SCC(=O)c2ccc(cc2)Br)Cc3ccccc3
Chemical ID:
5480769
Name [?]:
5-benzyl-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-3H-pyrimidin-4-one
SMILES [?]:
Cc1c(c(=O)[nH]c(n1)SCC(=O)c2ccc(cc2)Br)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17BrN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.629
Area:598.249
Solvation:-3.32719
Coulombic:-36.353
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:429.331
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.86
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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