rel-(8aR,11aS)-1-[3-(4-methoxyphenyl)propanoyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-[3-(4-methoxyphenyl)propanoyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-[3-(4-methoxyphenyl)propanoyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0035 |
| Compound Name: | rel-(8aR,11aS)-1-[3-(4-methoxyphenyl)propanoyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | COc1ccc(CCC(N2CCCCCNC([C@@H]3CCC[C@H]23)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3878 |
| logD: | 2.3878 |
| logSw: | -2.8371 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.89 |
| InChI Key: | GSYOIIGMHFEHLV-MOPGFXCFSA-N |