3-(3,4-dimethylphenoxy)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(3,4-dimethylphenoxy)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(3,4-dimethylphenoxy)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0871 |
| Compound Name: | 3-(3,4-dimethylphenoxy)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C26 H26 N2 O5 S |
| Smiles: | Cc1ccc2c(c1)NC(c1cc(c(cc1O2)Oc1ccc(C)c(C)c1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.483 |
| logD: | 5.468 |
| logSw: | -5.2233 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.251 |
| InChI Key: | MUIFGNQMHALTRJ-UHFFFAOYSA-N |