rel-(9aR,13aS)-12-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-12-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aS)-12-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S793-0175 |
| Compound Name: | rel-(9aR,13aS)-12-[(1-methyl-1H-pyrrol-2-yl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 409.57 |
| Molecular Formula: | C24 H35 N5 O |
| Smiles: | Cn1cccc1CN1CC[C@H]2C(NCCCCCCN(Cc3ccncc3)[C@@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6698 |
| logD: | 0.9223 |
| logSw: | -2.2402 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.558 |
| InChI Key: | RBOCJENVMHXBFV-GOTSBHOMSA-N |