2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V029-2163 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-4-(2-fluoroanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide |
| Molecular Weight: | 477.49 |
| Molecular Formula: | C25 H24 F N5 O4 |
| Salt: | not_available |
| Smiles: | C1CC(N(C1)CCCNC(c1cnc(c2ccc3c(c2)OCO3)nc1Nc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0348 |
| logD: | 2.9547 |
| logSw: | -3.4474 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.797 |
| InChI Key: | AOVYUFXYEZTMKI-UHFFFAOYSA-N |