N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | C097-0303 |
| Compound Name: | N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 398.77 |
| Molecular Formula: | C18 H14 Cl F3 N2 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7642 |
| logD: | 4.2776 |
| logSw: | -5.0337 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.461 |
| InChI Key: | QQJWMMSLQRQRGC-SFHVURJKSA-N |