Chemical ID: 3874254

CCOC(=O)CSc1nnc(n1C)COc2cccc(c2)C
Chemical ID:
3874254
Name [?]:
ethyl 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
CCOC(=O)CSc1nnc(n1C)COc2cccc(c2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H19N3O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.95647
Area:555.76
Solvation:-3.93752
Coulombic:-38.3219
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:321.396
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.04
LogP (Chemaxon):2.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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