8-chloro-6-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
Chemical Structure Depiction of
8-chloro-6-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
8-chloro-6-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
Compound characteristics
| Compound ID: | E645-0887 |
| Compound Name: | 8-chloro-6-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one |
| Molecular Weight: | 476.96 |
| Molecular Formula: | C26 H25 Cl N4 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(c2cccnc2Oc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5146 |
| logD: | 4.5145 |
| logSw: | -4.7033 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.884 |
| InChI Key: | JBXRIDWWOMQHLH-UHFFFAOYSA-N |