rel-(8aR,12aS)-N-(3-methoxypropyl)-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(8aR,12aS)-N-(3-methoxypropyl)-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
rel-(8aR,12aS)-N-(3-methoxypropyl)-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S780-0218 |
| Compound Name: | rel-(8aR,12aS)-N-(3-methoxypropyl)-8-oxododecahydro-1,7-benzodiazecine-1(2H)-carboxamide |
| Molecular Weight: | 325.45 |
| Molecular Formula: | C17 H31 N3 O3 |
| Smiles: | COCCCNC(N1CCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5364 |
| logD: | 1.5364 |
| logSw: | -2.1116 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.106 |
| InChI Key: | LUIMJMGRJASJKF-CABCVRRESA-N |