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