Chemical ID: 4696399

CCOC(=O)Cn1c(=O)n(c(n1)C)c2ccc(cc2)C
Chemical ID:
4696399
Name [?]:
ethyl 2-[3-methyl-5-oxo-4-(p-tolyl)-1,2,4-triazol-1-yl]acetate
SMILES [?]:
CCOC(=O)Cn1c(=O)n(c(n1)C)c2ccc(cc2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H17N3O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.12959
Area:483.619
Solvation:-2.96088
Coulombic:-43.1317
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.303
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.23
LogP (Chemaxon):1.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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