rel-(9aR,13aR)-12-(1-methyl-1H-imidazole-4-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-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aR)-12-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S792-0248 |
| Compound Name: | rel-(9aR,13aR)-12-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C22 H32 N6 O3 S |
| Smiles: | Cn1cc(nc1)S(N1CC[C@@H]2C(NCCCCCCN(Cc3ccncc3)[C@@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0995 |
| logD: | 0.075 |
| logSw: | -2.1426 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.05 |
| InChI Key: | HTKLSWHIVGWQDE-PMACEKPBSA-N |