Chemical ID: 3873793

COCCCn1c(nnc1SCC(=O)OC)c2ccccc2
Chemical ID:
3873793
Name [?]:
methyl 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
COCCCn1c(nnc1SCC(=O)OC)c2ccccc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H19N3O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.30899
Area:543.624
Solvation:-4.2816
Coulombic:-39.1817
Bond Count [?]
All:23
Single:17
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:321.396
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.66
LogP (Chemaxon):1.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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