3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-methyl-2-(morpholine-4-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-methyl-2-(morpholine-4-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-methyl-2-(morpholine-4-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0935 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-methyl-2-(morpholine-4-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 510.52 |
| Molecular Formula: | C25 H22 N2 O8 S |
| Smiles: | Cc1ccc2c(c1)NC(c1cc(c(cc1O2)Oc1ccc2c(c1)OCO2)S(N1CCOCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5235 |
| logD: | 3.5085 |
| logSw: | -3.7931 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.909 |
| InChI Key: | XUMPPCYRKLMACJ-UHFFFAOYSA-N |