rel-(8aR,11aS)-1-[(3-methylphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-[(3-methylphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-[(3-methylphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0162 |
| Compound Name: | rel-(8aR,11aS)-1-[(3-methylphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 300.44 |
| Molecular Formula: | C19 H28 N2 O |
| Smiles: | Cc1cccc(CN2CCCCCNC([C@@H]3CCC[C@H]23)=O)c1 |
| Stereo: | RELATIVE |
| logP: | 2.9339 |
| logD: | 1.9062 |
| logSw: | -3.1192 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.124 |
| InChI Key: | NQCMGLWERJOLHY-MSOLQXFVSA-N |