2-(azepane-1-sulfonyl)-3-[(2H-1,3-benzodioxol-5-yl)oxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
2-(azepane-1-sulfonyl)-3-[(2H-1,3-benzodioxol-5-yl)oxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one
2-(azepane-1-sulfonyl)-3-[(2H-1,3-benzodioxol-5-yl)oxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0739 |
| Compound Name: | 2-(azepane-1-sulfonyl)-3-[(2H-1,3-benzodioxol-5-yl)oxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C26 H24 N2 O7 S |
| Smiles: | C1CCCN(CC1)S(c1cc2C(Nc3ccccc3Oc2cc1Oc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.925 |
| logD: | 4.9025 |
| logSw: | -4.6581 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.332 |
| InChI Key: | GSDRZUWRUGXEPP-UHFFFAOYSA-N |