rel-(9aR,13aS)-12-(2,4-dimethyl-1,3-thiazole-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-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aS)-12-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S793-0061 |
| Compound Name: | rel-(9aR,13aS)-12-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C24 H33 N5 O2 S |
| Smiles: | Cc1c(C(N2CC[C@H]3C(NCCCCCCN(Cc4ccncc4)[C@@H]3C2)=O)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7811 |
| logD: | 1.7567 |
| logSw: | -2.5991 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.965 |
| InChI Key: | ZQVVGTYYSIJSBC-RTWAWAEBSA-N |