rel-(8aR,11aS)-1-[(3-fluorophenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-[(3-fluorophenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-[(3-fluorophenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0154 |
| Compound Name: | rel-(8aR,11aS)-1-[(3-fluorophenyl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 304.41 |
| Molecular Formula: | C18 H25 F N2 O |
| Smiles: | C1CCNC([C@@H]2CCC[C@@H]2N(CC1)Cc1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4095 |
| logD: | 1.8553 |
| logSw: | -2.7826 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.124 |
| InChI Key: | PFZNTSFFHRTQHL-SJORKVTESA-N |