rel-(8aR,11aS)-1-[(3-methoxyphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-[(3-methoxyphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-[(3-methoxyphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0163 |
| Compound Name: | rel-(8aR,11aS)-1-[(3-methoxyphenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 316.44 |
| Molecular Formula: | C19 H28 N2 O2 |
| Smiles: | COc1cccc(CN2CCCCCNC([C@@H]3CCC[C@H]23)=O)c1 |
| Stereo: | RELATIVE |
| logP: | 2.3427 |
| logD: | 0.2191 |
| logSw: | -2.8172 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.668 |
| InChI Key: | VORBKAHCKWBZRW-MSOLQXFVSA-N |