8-chloro-6-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
Chemical Structure Depiction of
8-chloro-6-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
8-chloro-6-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
Compound characteristics
Compound ID: | E645-2656 |
Compound Name: | 8-chloro-6-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one |
Molecular Weight: | 414.89 |
Molecular Formula: | C21 H23 Cl N4 O3 |
Smiles: | CN1CCN(CC1)C(CCCN1C(c2cccnc2Oc2ccc(cc12)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8401 |
logD: | 1.5932 |
logSw: | -2.9361 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 52.38 |
InChI Key: | ACXSHCOVQRQUFD-UHFFFAOYSA-N |