8-chloro-6-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
Chemical Structure Depiction of
8-chloro-6-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
8-chloro-6-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
Compound characteristics
| Compound ID: | E645-2669 |
| Compound Name: | 8-chloro-6-{4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl}pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one |
| Molecular Weight: | 494.95 |
| Molecular Formula: | C26 H24 Cl F N4 O3 |
| Smiles: | C(CC(N1CCN(CC1)c1ccc(cc1)F)=O)CN1C(c2cccnc2Oc2ccc(cc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8079 |
| logD: | 3.8079 |
| logSw: | -4.397 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.163 |
| InChI Key: | RUDTVCIEDSZCDB-UHFFFAOYSA-N |