Chemical ID: 4459250

COCCn1c(nnc1SCc2ccc(cc2)[N+](=O)[O-])c3ccccc3
Chemical ID:
4459250
Name [?]:
4-(2-methoxyethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole
SMILES [?]:
COCCn1c(nnc1SCc2ccc(cc2)[N+](=O)[O-])c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18N4O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:6.74066
Area:599.232
Solvation:-8.24013
Coulombic:-35.288
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:370.427
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.08
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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