3-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0543 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)oxy]-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C26 H24 N2 O7 S |
| Smiles: | CC1CCN(CC1)S(c1cc2C(Nc3ccccc3Oc2cc1Oc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9031 |
| logD: | 4.8806 |
| logSw: | -4.4944 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.001 |
| InChI Key: | OTTOQEGOPRMCRR-UHFFFAOYSA-N |