3-(2-bromophenoxy)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(2-bromophenoxy)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(2-bromophenoxy)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0882 |
| Compound Name: | 3-(2-bromophenoxy)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 529.41 |
| Molecular Formula: | C24 H21 Br N2 O5 S |
| Smiles: | Cc1ccc2c(c1)NC(c1cc(c(cc1O2)Oc1ccccc1[Br])S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1468 |
| logD: | 5.1318 |
| logSw: | -4.8801 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.338 |
| InChI Key: | LHKXRCXFXAEODG-UHFFFAOYSA-N |