butyl 4-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
butyl 4-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
butyl 4-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | C097-0353 |
| Compound Name: | butyl 4-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate |
| Molecular Weight: | 493.27 |
| Molecular Formula: | C20 H17 Cl2 F3 N2 O5 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(NC1(C(F)(F)F)Oc2cc(c(cc2O1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8125 |
| logD: | 6.0377 |
| logSw: | -6.5469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.681 |
| InChI Key: | MZVVSEAMSVLBFZ-UHFFFAOYSA-N |