rel-(9aR,13aS)-N-(3-methoxypropyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-(3-methoxypropyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
rel-(9aR,13aS)-N-(3-methoxypropyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide
Compound characteristics
| Compound ID: | S775-0218 |
| Compound Name: | rel-(9aR,13aS)-N-(3-methoxypropyl)-9-oxotetradecahydro-1H-1,8-benzodiazacycloundecine-1-carboxamide |
| Molecular Weight: | 339.48 |
| Molecular Formula: | C18 H33 N3 O3 |
| Smiles: | COCCCNC(N1CCCCCCNC([C@@H]2CCCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0324 |
| logD: | 2.0324 |
| logSw: | -2.52 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.106 |
| InChI Key: | LGSFQCQGCVMTDD-CVEARBPZSA-N |