rel-(9aR,13aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-oxododecahydro-5,1,8-benzoxadiazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-oxododecahydro-5,1,8-benzoxadiazacycloundecine-1(2H)-carboxamide
rel-(9aR,13aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-oxododecahydro-5,1,8-benzoxadiazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S797-0220 |
| Compound Name: | rel-(9aR,13aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-oxododecahydro-5,1,8-benzoxadiazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C21 H29 N3 O5 |
| Smiles: | C1CC[C@H]2C(NCCOCCCN(C(Nc3ccc4c(c3)OCCO4)=O)[C@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8814 |
| logD: | 0.8814 |
| logSw: | -2.0952 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.061 |
| InChI Key: | DMQDICUBKTZORZ-SJORKVTESA-N |