methyl 2-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 2-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
methyl 2-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | C097-0355 |
| Compound Name: | methyl 2-{[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]carbamamido}benzoate |
| Molecular Weight: | 451.18 |
| Molecular Formula: | C17 H11 Cl2 F3 N2 O5 |
| Smiles: | COC(c1ccccc1NC(NC1(C(F)(F)F)Oc2cc(c(cc2O1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9519 |
| logD: | 3.8081 |
| logSw: | -5.1501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.109 |
| InChI Key: | BONFYSDWWSINHP-UHFFFAOYSA-N |