N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
Compound characteristics
| Compound ID: | L010-0092 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C23 H22 N4 O3 |
| Smiles: | C1CCN(C1)c1cc(c2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)ncn1 |
| Stereo: | ACHIRAL |
| logP: | 4.1879 |
| logD: | 4.187 |
| logSw: | -4.2509 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.588 |
| InChI Key: | JHAFMMPIDXZGLZ-UHFFFAOYSA-N |