3-(4-ethylpiperazin-1-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(4-ethylpiperazin-1-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(4-ethylpiperazin-1-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0911 |
| Compound Name: | 3-(4-ethylpiperazin-1-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C24 H30 N4 O4 S |
| Smiles: | CCN1CCN(CC1)c1cc2c(cc1S(N1CCCC1)(=O)=O)C(Nc1cc(C)ccc1O2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.349 |
| logD: | 2.8881 |
| logSw: | -3.8744 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.105 |
| InChI Key: | KLIJEVHUZWXZBN-UHFFFAOYSA-N |