rel-(9aR,12aS)-5-(3-fluoro-4-methoxybenzoyl)-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-5-(3-fluoro-4-methoxybenzoyl)-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-5-(3-fluoro-4-methoxybenzoyl)-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0971 |
| Compound Name: | rel-(9aR,12aS)-5-(3-fluoro-4-methoxybenzoyl)-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 441.52 |
| Molecular Formula: | C20 H28 F N3 O5 S |
| Smiles: | COc1ccc(cc1F)C(N1CCCN([C@H]2CCC[C@H]2C(NCC1)=O)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4378 |
| logD: | 0.4378 |
| logSw: | -2.3936 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.564 |
| InChI Key: | GYDRHWQKJAOVAE-WBVHZDCISA-N |