Chemical ID: 3893507

CC(C)OC(=O)CSc1nnc(n1c2cccc(c2)OC)c3cccnc3
Chemical ID:
3893507
Name [?]:
isopropyl 2-[[4-(3-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
CC(C)OC(=O)CSc1nnc(n1c2cccc(c2)OC)c3cccnc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N4O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8626
Area:604.858
Solvation:-4.25885
Coulombic:-42.6529
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:384.453
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.61
LogP (Chemaxon):2.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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