2-(azepane-1-sulfonyl)-3-(2-bromophenoxy)-8-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
2-(azepane-1-sulfonyl)-3-(2-bromophenoxy)-8-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
2-(azepane-1-sulfonyl)-3-(2-bromophenoxy)-8-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-1176 |
| Compound Name: | 2-(azepane-1-sulfonyl)-3-(2-bromophenoxy)-8-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 557.46 |
| Molecular Formula: | C26 H25 Br N2 O5 S |
| Smiles: | Cc1ccc2c(c1)NC(c1cc(c(cc1O2)Oc1ccccc1[Br])S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9732 |
| logD: | 5.9583 |
| logSw: | -5.3686 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.303 |
| InChI Key: | PTZVGEDZWHWBAZ-UHFFFAOYSA-N |