N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | C097-0309 |
| Compound Name: | N-[5-chloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide |
| Molecular Weight: | 457.84 |
| Molecular Formula: | C20 H19 Cl F3 N3 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(NC1(C(F)(F)F)Oc2ccc(cc2O1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6125 |
| logD: | 4.2642 |
| logSw: | -4.8877 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.603 |
| InChI Key: | GJMAYFKXUCGZDE-FQEVSTJZSA-N |