3-{1-[6-(ethylamino)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-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-one
3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | T422-0166 |
| Compound Name: | 3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}-1-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 438.58 |
| Molecular Formula: | C23 H34 N8 O |
| Smiles: | CCNc1cc(ncn1)N1CCC(CCC(N2CCCN(CC2)c2ncccn2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.3378 |
| logD: | 3.3261 |
| logSw: | -3.5086 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.738 |
| InChI Key: | XELYPDSSKSPWBQ-UHFFFAOYSA-N |