rel-(9aR,13aS)-12-[(1-ethyl-1H-pyrazol-4-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-ethyl-1H-pyrazol-4-yl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aS)-12-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S793-0199 |
| Compound Name: | rel-(9aR,13aS)-12-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 424.59 |
| Molecular Formula: | C24 H36 N6 O |
| Smiles: | CCn1cc(CN2CC[C@H]3C(NCCCCCCN(Cc4ccncc4)[C@@H]3C2)=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7967 |
| logD: | -5.1083 |
| logSw: | -1.6807 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.162 |
| InChI Key: | ASZIMZCIMWLEAT-GOTSBHOMSA-N |