3-(4-methylpiperazin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(4-methylpiperazin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(4-methylpiperazin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0469 |
| Compound Name: | 3-(4-methylpiperazin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | CN1CCN(CC1)c1cc2c(cc1S(N1CCCC1)(=O)=O)C(Nc1ccccc1O2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9204 |
| logD: | 2.5538 |
| logSw: | -3.8024 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.045 |
| InChI Key: | PEGQPGFPUALGST-UHFFFAOYSA-N |