rel-(9aR,13aS)-12-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aS)-12-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S793-0164 |
| Compound Name: | rel-(9aR,13aS)-12-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 427.61 |
| Molecular Formula: | C23 H33 N5 O S |
| Smiles: | Cc1c(CN2CC[C@H]3C(NCCCCCCN(Cc4ccncc4)[C@@H]3C2)=O)scn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5815 |
| logD: | 0.3019 |
| logSw: | -2.4268 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.865 |
| InChI Key: | MYZUIKABZAXBDO-RTWAWAEBSA-N |