N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidine-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V006-8852 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidine-5-carboxamide |
| Molecular Weight: | 515.49 |
| Molecular Formula: | C25 H24 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | COc1c(cnc(n1)N1CCN(CC1)c1cccc(c1)C(F)(F)F)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4103 |
| logD: | 4.4102 |
| logSw: | -4.2026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.801 |
| InChI Key: | BGSXFKIMZGOQOV-UHFFFAOYSA-N |