rel-(9aR,12aS)-1-(methanesulfonyl)-5-(2-methylpyridine-4-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(methanesulfonyl)-5-(2-methylpyridine-4-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(methanesulfonyl)-5-(2-methylpyridine-4-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0935 |
| Compound Name: | rel-(9aR,12aS)-1-(methanesulfonyl)-5-(2-methylpyridine-4-carbonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C19 H28 N4 O4 S |
| Smiles: | Cc1cc(ccn1)C(N1CCCN([C@H]2CCC[C@H]2C(NCC1)=O)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4429 |
| logD: | -0.4543 |
| logSw: | -2.2873 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.788 |
| InChI Key: | HFVLRKSDBFEAMI-SJORKVTESA-N |