Chemical ID: 6590543

COCCn1c(nnc1SCC(=O)c2ccccc2OC)c3ccncc3
Chemical ID:
6590543
Name [?]:
2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)-ethanone
SMILES [?]:
COCCn1c(nnc1SCC(=O)c2ccccc2OC)c3ccncc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N4O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.56869
Area:612.9
Solvation:-6.75382
Coulombic:-38.5542
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:384.453
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.59
LogP (Chemaxon):1.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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