rel-(9aR,13aS)-N-benzyl-9-oxo-1-[(pyridin-4-yl)methyl]tetradecahydro-12H-pyrido[3,4-b][1,5]diazacycloundecine-12-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-benzyl-9-oxo-1-[(pyridin-4-yl)methyl]tetradecahydro-12H-pyrido[3,4-b][1,5]diazacycloundecine-12-carboxamide
rel-(9aR,13aS)-N-benzyl-9-oxo-1-[(pyridin-4-yl)methyl]tetradecahydro-12H-pyrido[3,4-b][1,5]diazacycloundecine-12-carboxamide
Compound characteristics
| Compound ID: | S793-0211 |
| Compound Name: | rel-(9aR,13aS)-N-benzyl-9-oxo-1-[(pyridin-4-yl)methyl]tetradecahydro-12H-pyrido[3,4-b][1,5]diazacycloundecine-12-carboxamide |
| Molecular Weight: | 449.6 |
| Molecular Formula: | C26 H35 N5 O2 |
| Smiles: | C1CCCN(Cc2ccncc2)[C@@H]2CN(CC[C@H]2C(NCC1)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7822 |
| logD: | 1.2484 |
| logSw: | -2.3451 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.719 |
| InChI Key: | ONZCTCSDIGKJRT-ZEQRLZLVSA-N |