rel-(9aR,13aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0220 |
| Compound Name: | rel-(9aR,13aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C22 H31 N3 O4 |
| Smiles: | C1CCCN(C(Nc2ccc3c(c2)OCCO3)=O)[C@H]2CCCC[C@H]2C(NCC1)=O |
| Stereo: | RELATIVE |
| logP: | 2.067 |
| logD: | 2.067 |
| logSw: | -2.7778 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.152 |
| InChI Key: | ZXKTWPWIDBYAAE-MSOLQXFVSA-N |