2-(azepane-1-sulfonyl)-3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
2-(azepane-1-sulfonyl)-3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
2-(azepane-1-sulfonyl)-3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-1180 |
| Compound Name: | 2-(azepane-1-sulfonyl)-3-[(2H-1,3-benzodioxol-5-yl)oxy]-8-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 522.58 |
| Molecular Formula: | C27 H26 N2 O7 S |
| Smiles: | Cc1ccc2c(c1)NC(c1cc(c(cc1O2)Oc1ccc2c(c1)OCO2)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0088 |
| logD: | 4.9939 |
| logSw: | -4.5001 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.332 |
| InChI Key: | CHIIMWGJCKWRBW-UHFFFAOYSA-N |