2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | E645-0531 |
| Compound Name: | 2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)-N-[3-(propylsulfanyl)propyl]acetamide |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | CCCSCCCNC(CN1C(c2cccnc2Oc2ccc(C)cc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9954 |
| logD: | 2.9954 |
| logSw: | -3.5043 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.117 |
| InChI Key: | UKSDCJGGKVPLPU-UHFFFAOYSA-N |