Chemical ID: 3850737

c1ccc(cc1)CCn2c(nnc2SCC(=O)N3CCCCC3)c4ccccc4O
Chemical ID:
3850737
Name [?]:
2-[[5-(2-hydroxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone
SMILES [?]:
c1ccc(cc1)CCn2c(nnc2SCC(=O)N3CCCCC3)c4ccccc4O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.4547
Area:657.806
Solvation:-3.99043
Coulombic:-46.6336
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:422.544
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.43
LogP (Chemaxon):3.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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