2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | E645-0837 |
| Compound Name: | 2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C20 H22 Cl N3 O3 S |
| Smiles: | CCCSCCCNC(CN1C(c2cccnc2Oc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.12 |
| logD: | 3.12 |
| logSw: | -3.6852 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.117 |
| InChI Key: | XJGILNQQKNSOKP-UHFFFAOYSA-N |