Chemical ID: 3849262

Cc1nnc(n1CCCOC)SCC(=O)Nc2ccccc2[N+](=O)[O-]
Chemical ID:
3849262
Name [?]:
2-[[4-(3-methoxypropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)-acetamide
SMILES [?]:
Cc1nnc(n1CCCOC)SCC(=O)Nc2ccccc2[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H19N5O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.06843
Area:593.227
Solvation:-8.76225
Coulombic:-51.9459
Bond Count [?]
All:26
Single:19
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:365.409
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.39
LogP (Chemaxon):1.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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