rel-(9aR,13aS)-12-(pyridine-4-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-(pyridine-4-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aS)-12-(pyridine-4-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S793-0079 |
| Compound Name: | rel-(9aR,13aS)-12-(pyridine-4-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C24 H31 N5 O2 |
| Smiles: | C1CCCN(Cc2ccncc2)[C@@H]2CN(CC[C@H]2C(NCC1)=O)C(c1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5077 |
| logD: | 0.4833 |
| logSw: | -1.4848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.004 |
| InChI Key: | QYNWHLUKBBRURT-VXKWHMMOSA-N |