2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
Compound characteristics
Compound ID: | E645-0813 |
Compound Name: | 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide |
Molecular Weight: | 456.97 |
Molecular Formula: | C24 H29 Cl N4 O3 |
Smiles: | CC1CC(C)CN(CCCNC(CN2C(c3cccnc3Oc3ccc(cc23)[Cl])=O)=O)C1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.3539 |
logD: | 0.7491 |
logSw: | -3.8647 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.694 |
InChI Key: | LWZLKMKMIQPJML-UHFFFAOYSA-N |