rel-(9aR,12aS)-1-(methanesulfonyl)-5-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(methanesulfonyl)-5-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(methanesulfonyl)-5-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0907 |
| Compound Name: | rel-(9aR,12aS)-1-(methanesulfonyl)-5-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C18 H29 N3 O4 S |
| Smiles: | Cc1ccc(CN2CCCN([C@H]3CCC[C@H]3C(NCC2)=O)S(C)(=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8934 |
| logD: | 0.4076 |
| logSw: | -2.5068 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.281 |
| InChI Key: | VCJSJAJRYDVZEF-SJORKVTESA-N |