8-chloro-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
Chemical Structure Depiction of
8-chloro-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
8-chloro-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
Compound characteristics
| Compound ID: | E645-0912 |
| Compound Name: | 8-chloro-6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C20 H21 Cl N4 O3 |
| Smiles: | CCN1CCN(CC1)C(CN1C(c2cccnc2Oc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8842 |
| logD: | 1.708 |
| logSw: | -3.0845 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.461 |
| InChI Key: | KNJHCXIKJWSZED-UHFFFAOYSA-N |