N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(pyrimidin-2-yl)amino]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(pyrimidin-2-yl)amino]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(pyrimidin-2-yl)amino]butanamide
Compound characteristics
| Compound ID: | Y041-7142 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(pyrimidin-2-yl)amino]butanamide |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C16 H18 N4 O3 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CNc1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 0.6651 |
| logD: | 0.6648 |
| logSw: | -1.8956 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.471 |
| InChI Key: | TXNULDGMDBSWCT-UHFFFAOYSA-N |