rel-(9aR,12aS)-8-methyl-1-(5-methylthiophene-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-8-methyl-1-(5-methylthiophene-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-8-methyl-1-(5-methylthiophene-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0310 |
| Compound Name: | rel-(9aR,12aS)-8-methyl-1-(5-methylthiophene-2-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 348.51 |
| Molecular Formula: | C19 H28 N2 O2 S |
| Smiles: | Cc1ccc(C(N2CCCCCCN(C)C([C@@H]3CCC[C@H]23)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1152 |
| logD: | 3.1152 |
| logSw: | -3.2204 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.225 |
| InChI Key: | VURUPWYSKFXKKS-CVEARBPZSA-N |