rel-(8aR,11aS)-1-(5-methylthiophene-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-(5-methylthiophene-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-(5-methylthiophene-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0026 |
| Compound Name: | rel-(8aR,11aS)-1-(5-methylthiophene-2-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 320.45 |
| Molecular Formula: | C17 H24 N2 O2 S |
| Smiles: | Cc1ccc(C(N2CCCCCNC([C@@H]3CCC[C@H]23)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4561 |
| logD: | 2.4561 |
| logSw: | -2.8927 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.892 |
| InChI Key: | JERGNSFBWGLFFG-KGLIPLIRSA-N |