Chemical ID: 3874697

CC(C)OC(=O)CSc1nnc(n1CCCOC)c2ccco2
Chemical ID:
3874697
Name [?]:
isopropyl 2-[[5-(2-furyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
CC(C)OC(=O)CSc1nnc(n1CCCOC)c2ccco2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H21N3O4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.87113
Area:576.79
Solvation:-4.54862
Coulombic:-46.0573
Bond Count [?]
All:24
Single:19
Double:5
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:339.411
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.25
LogP (Chemaxon):1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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