rel-(8aR,12aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxododecahydro-1H-4,1,7-benzoxadiazecine-1-carboxamide
Chemical Structure Depiction of
rel-(8aR,12aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxododecahydro-1H-4,1,7-benzoxadiazecine-1-carboxamide
rel-(8aR,12aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxododecahydro-1H-4,1,7-benzoxadiazecine-1-carboxamide
Compound characteristics
| Compound ID: | S767-0220 |
| Compound Name: | rel-(8aR,12aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-oxododecahydro-1H-4,1,7-benzoxadiazecine-1-carboxamide |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C20 H27 N3 O5 |
| Smiles: | C1CC[C@@H]2[C@H](C1)C(NCCOCCN2C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7755 |
| logD: | 0.7754 |
| logSw: | -2.0317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.061 |
| InChI Key: | XIRJQCUQQTWJJW-CVEARBPZSA-N |