rel-(9aR,13aS)-12-[(2-methoxyethoxy)acetyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-12-[(2-methoxyethoxy)acetyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aS)-12-[(2-methoxyethoxy)acetyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S793-0010 |
| Compound Name: | rel-(9aR,13aS)-12-[(2-methoxyethoxy)acetyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C23 H36 N4 O4 |
| Smiles: | COCCOCC(N1CC[C@H]2C(NCCCCCCN(Cc3ccncc3)[C@@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.501 |
| logD: | -0.5254 |
| logSw: | -1.402 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.015 |
| InChI Key: | HYRQOHRBSVBYPQ-SFTDATJTSA-N |