3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-one
Chemical Structure Depiction of
3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-one
3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | T422-0916 |
| Compound Name: | 3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 450.59 |
| Molecular Formula: | C24 H34 N8 O |
| Smiles: | C1CN(CCN(C1)c1ncccn1)C(CCC1CCN(CC1)c1cc(NC2CC2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5667 |
| logD: | 3.5658 |
| logSw: | -3.6652 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.897 |
| InChI Key: | LKBSVALZXJMVAK-UHFFFAOYSA-N |