rel-(9aR,13aR)-12-(2,5-dimethoxybenzene-1-sulfonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aR)-12-(2,5-dimethoxybenzene-1-sulfonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aR)-12-(2,5-dimethoxybenzene-1-sulfonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S792-0250 |
| Compound Name: | rel-(9aR,13aR)-12-(2,5-dimethoxybenzene-1-sulfonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C26 H36 N4 O5 S |
| Smiles: | COc1ccc(c(c1)S(N1CC[C@@H]2C(NCCCCCCN(Cc3ccncc3)[C@@H]2C1)=O)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8044 |
| logD: | 1.78 |
| logSw: | -2.6155 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.813 |
| InChI Key: | ZUBMMXIDCSWLJT-GOTSBHOMSA-N |