3-butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
Chemical Structure Depiction of
3-butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
3-butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
Compound characteristics
Compound ID: | 4872-0029 |
Compound Name: | 3-butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene |
Molecular Weight: | 363.63 |
Molecular Formula: | C14 H13 Cl3 N2 O3 |
Smiles: | CCCCOc1ccc2c(c1)\C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)N2 |
Stereo: | ACHIRAL |
logP: | 5.6786 |
logD: | 2.7247 |
logSw: | -5.9683 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.146 |
InChI Key: | LVASCKDWIHPUMG-UHFFFAOYSA-N |