rel-(8aR,11aS)-1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0184 |
| Compound Name: | rel-(8aR,11aS)-1-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C21 H27 F N4 O |
| Smiles: | C1CCNC([C@@H]2CCC[C@@H]2N(CC1)Cc1c[nH]nc1c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4266 |
| logD: | 0.2427 |
| logSw: | -2.8802 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.314 |
| InChI Key: | VLTXSNBPYCMMRQ-MOPGFXCFSA-N |