rel-(9aR,13aS)-N-(2-ethoxyphenyl)-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-(2-ethoxyphenyl)-9-oxo-1-[(pyridin-4-yl)methyl]tetradecahydro-12H-pyrido[3,4-b][1,5]diazacycloundecine-12-carboxamide
rel-(9aR,13aS)-N-(2-ethoxyphenyl)-9-oxo-1-[(pyridin-4-yl)methyl]tetradecahydro-12H-pyrido[3,4-b][1,5]diazacycloundecine-12-carboxamide
Compound characteristics
| Compound ID: | S793-0217 |
| Compound Name: | rel-(9aR,13aS)-N-(2-ethoxyphenyl)-9-oxo-1-[(pyridin-4-yl)methyl]tetradecahydro-12H-pyrido[3,4-b][1,5]diazacycloundecine-12-carboxamide |
| Molecular Weight: | 479.62 |
| Molecular Formula: | C27 H37 N5 O3 |
| Smiles: | CCOc1ccccc1NC(N1CC[C@H]2C(NCCCCCCN(Cc3ccncc3)[C@@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7254 |
| logD: | 2.5041 |
| logSw: | -2.9297 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.909 |
| InChI Key: | VPOYPZRRDZLLQF-UPVQGACJSA-N |