3-(4-ethylpiperazin-1-yl)-8-methyl-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(4-ethylpiperazin-1-yl)-8-methyl-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(4-ethylpiperazin-1-yl)-8-methyl-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-1009 |
| Compound Name: | 3-(4-ethylpiperazin-1-yl)-8-methyl-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 498.64 |
| Molecular Formula: | C26 H34 N4 O4 S |
| Smiles: | CCN1CCN(CC1)c1cc2c(cc1S(N1CCC(C)CC1)(=O)=O)C(Nc1cc(C)ccc1O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1535 |
| logD: | 3.6926 |
| logSw: | -4.2129 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.739 |
| InChI Key: | ZQXGUDRYAVDFSN-UHFFFAOYSA-N |