3-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0445 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 480.5 |
| Molecular Formula: | C24 H20 N2 O7 S |
| Smiles: | C1CCN(C1)S(c1cc2C(Nc3ccccc3Oc2cc1Oc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0986 |
| logD: | 4.076 |
| logSw: | -4.3062 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.367 |
| InChI Key: | ZCRKYOWBJLSIHL-UHFFFAOYSA-N |