Chemical ID: 3943342

Cc1c(c(nc(n1)SCC(=O)N2CCCCCC2)O)Cc3ccccc3
Chemical ID:
3943342
Name [?]:
1-azepan-1-yl-2-(5-benzyl-4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-ethanone
SMILES [?]:
Cc1c(c(nc(n1)SCC(=O)N2CCCCCC2)O)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H25N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.028
Area:576.92
Solvation:-3.39505
Coulombic:-45.3778
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:371.498
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.22
LogP (Chemaxon):3.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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