N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | E645-0219 |
| Compound Name: | N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 477.61 |
| Molecular Formula: | C27 H35 N5 O3 |
| Smiles: | C1CCC(CC1)N1CCN(CCCNC(CN2C(c3cccnc3Oc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.5444 |
| logD: | 1.634 |
| logSw: | -3.1209 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.921 |
| InChI Key: | XLXQPTMNZKGRGJ-UHFFFAOYSA-N |