2-(azepane-1-sulfonyl)-3-(4-bromophenoxy)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
2-(azepane-1-sulfonyl)-3-(4-bromophenoxy)dibenzo[b,f][1,4]oxazepin-11(10H)-one
2-(azepane-1-sulfonyl)-3-(4-bromophenoxy)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0736 |
| Compound Name: | 2-(azepane-1-sulfonyl)-3-(4-bromophenoxy)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 543.44 |
| Molecular Formula: | C25 H23 Br N2 O5 S |
| Smiles: | C1CCCN(CC1)S(c1cc2C(Nc3ccccc3Oc2cc1Oc1ccc(cc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1092 |
| logD: | 6.0866 |
| logSw: | -5.8798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.216 |
| InChI Key: | JFFHISKJMAJZHW-UHFFFAOYSA-N |