N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
Compound characteristics
| Compound ID: | M597-0016 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C23 H22 N4 O3 |
| Smiles: | C1CCN(C1)c1nccc(c2ccc(cc2)C(Nc2ccc3c(c2)OCCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4846 |
| logD: | 3.4835 |
| logSw: | -3.6008 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.63 |
| InChI Key: | JPTKBDNJMDQVJH-UHFFFAOYSA-N |