rel-(9aR,13aS)-12-(1-ethyl-1H-pyrazole-5-carbonyl)-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-pyrazole-5-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aS)-12-(1-ethyl-1H-pyrazole-5-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S793-0126 |
| Compound Name: | rel-(9aR,13aS)-12-(1-ethyl-1H-pyrazole-5-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C24 H34 N6 O2 |
| Smiles: | CCn1c(ccn1)C(N1CC[C@H]2C(NCCCCCCN(Cc3ccncc3)[C@@H]2C1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.6954 |
| logD: | 0.671 |
| logSw: | -1.6693 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.665 |
| InChI Key: | XEWJDPJAIQAYKB-UNMCSNQZSA-N |