N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-4-(pyrrolidin-1-yl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-4-(pyrrolidin-1-yl)pyrimidine-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-4-(pyrrolidin-1-yl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V029-4276 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-4-(pyrrolidin-1-yl)pyrimidine-5-carboxamide |
| Molecular Weight: | 420.44 |
| Molecular Formula: | C23 H21 F N4 O3 |
| Smiles: | C1CCN(C1)c1c(cnc(c2ccc(cc2)F)n1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.496 |
| logD: | 4.496 |
| logSw: | -4.1973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.34 |
| InChI Key: | UDOVUERJJOSZQF-UHFFFAOYSA-N |