rel-(9aR,12aS)-1-(methanesulfonyl)-5-(6-methoxypyridine-3-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(methanesulfonyl)-5-(6-methoxypyridine-3-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(methanesulfonyl)-5-(6-methoxypyridine-3-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0945 |
| Compound Name: | rel-(9aR,12aS)-1-(methanesulfonyl)-5-(6-methoxypyridine-3-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C19 H28 N4 O5 S |
| Smiles: | COc1ccc(cn1)C(N1CCCN([C@H]2CCC[C@H]2C(NCC1)=O)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.1254 |
| logD: | -0.1254 |
| logSw: | -2.3305 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.516 |
| InChI Key: | CHQFPIDOJOEVMC-CVEARBPZSA-N |