rel-(9aR,12aS)-8-methyl-1-[(5-methylthiophen-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-8-methyl-1-[(5-methylthiophen-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-8-methyl-1-[(5-methylthiophen-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0440 |
| Compound Name: | rel-(9aR,12aS)-8-methyl-1-[(5-methylthiophen-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 334.52 |
| Molecular Formula: | C19 H30 N2 O S |
| Smiles: | Cc1ccc(CN2CCCCCCN(C)C([C@@H]3CCC[C@H]23)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2986 |
| logD: | 1.918 |
| logSw: | -3.4368 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.4752 |
| InChI Key: | MOAQGFSXMWILQC-MSOLQXFVSA-N |