2-(2H-1,3-benzodioxol-5-yl)-4-(4-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-4-(4-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
2-(2H-1,3-benzodioxol-5-yl)-4-(4-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V019-1113 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-4-(4-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 424.43 |
| Molecular Formula: | C22 H21 F N4 O4 |
| Salt: | not_available |
| Smiles: | COCCCNC(c1cnc(c2ccc3c(c2)OCO3)nc1Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8354 |
| logD: | 3.7553 |
| logSw: | -3.9206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.596 |
| InChI Key: | OPDUKRBDXXQAAM-UHFFFAOYSA-N |