N-(3,4-dihydro-2H-1-benzopyran-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-(3,4-dihydro-2H-1-benzopyran-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
N-(3,4-dihydro-2H-1-benzopyran-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
Compound characteristics
Compound ID: | G765-0128 |
Compound Name: | N-(3,4-dihydro-2H-1-benzopyran-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide |
Molecular Weight: | 405.42 |
Molecular Formula: | C21 H22 F3 N3 O2 |
Smiles: | C1C(COc2ccccc12)NC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4287 |
logD: | 4.4281 |
logSw: | -4.3315 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 38.193 |
InChI Key: | NDSMRFLZJVPDIC-KRWDZBQOSA-N |