rel-(8aR,11aS)-1-[(2,3-dimethoxyphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-[(2,3-dimethoxyphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-[(2,3-dimethoxyphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0153 |
| Compound Name: | rel-(8aR,11aS)-1-[(2,3-dimethoxyphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 346.47 |
| Molecular Formula: | C20 H30 N2 O3 |
| Smiles: | COc1cccc(CN2CCCCCNC([C@@H]3CCC[C@H]23)=O)c1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2927 |
| logD: | 0.1446 |
| logSw: | -2.795 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.472 |
| InChI Key: | MFODQKWZHCGXLU-SJORKVTESA-N |