N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | C097-0450 |
| Compound Name: | N-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 433.21 |
| Molecular Formula: | C18 H13 Cl2 F3 N2 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(NC1(C(F)(F)F)Oc2cc(c(cc2O1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2178 |
| logD: | 4.5791 |
| logSw: | -5.8507 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.461 |
| InChI Key: | HMQOHVYRVXBFOD-UHFFFAOYSA-N |