rel-(9aR,13aS)-12-(4-methyl-1,3-oxazole-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-(4-methyl-1,3-oxazole-5-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aS)-12-(4-methyl-1,3-oxazole-5-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S793-0063 |
| Compound Name: | rel-(9aR,13aS)-12-(4-methyl-1,3-oxazole-5-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | Cc1c(C(N2CC[C@H]3C(NCCCCCCN(Cc4ccncc4)[C@@H]3C2)=O)=O)ocn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5779 |
| logD: | 0.5535 |
| logSw: | -1.6779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.49 |
| InChI Key: | GLJLKUGOZNZGDP-PMACEKPBSA-N |