Chemical ID: 3873945

CCn1c(nnc1SCC(=O)OC(C)C)Cc2ccccc2
Chemical ID:
3873945
Name [?]:
isopropyl 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate
SMILES [?]:
CCn1c(nnc1SCC(=O)OC(C)C)Cc2ccccc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H21N3O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.0463
Area:548.843
Solvation:-2.67474
Coulombic:-31.453
Bond Count [?]
All:23
Single:17
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:319.423
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.61
LogP (Chemaxon):2.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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