Chemical ID: 3933982

COCCCn1c(nnc1SCC(=O)c2cccc(c2)OC)c3ccco3
Chemical ID:
3933982
Name [?]:
2-[[5-(2-furyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methoxyphenyl)-ethanone
SMILES [?]:
COCCCn1c(nnc1SCC(=O)c2cccc(c2)OC)c3ccco3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H21N3O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.38234
Area:629.061
Solvation:-6.34418
Coulombic:-42.7521
Bond Count [?]
All:29
Single:21
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:387.454
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.9
LogP (Chemaxon):1.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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