ethyl {[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Chemical Structure Depiction of
ethyl {[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Available: 23 mg
Amount:
mg
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Compound characteristics

Compound ID: C244-0045
Compound Name: ethyl {[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Molecular Weight: 348.38
Molecular Formula: C15 H16 N4 O4 S
Smiles: CCOC(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1CC=C)=O
Stereo: ACHIRAL
logP: 3.178
logD: 3.178
logSw: -3.4007
Hydrogen bond acceptors count: 10
Polar surface area: 78.031
InChI Key: OELUWCNENVJYDI-UHFFFAOYSA-N
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