1-(4-fluorophenyl)-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Chemical Structure Depiction of
1-(4-fluorophenyl)-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
1-(4-fluorophenyl)-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Compound characteristics
| Compound ID: | IB06-0064 |
| Compound Name: | 1-(4-fluorophenyl)-N,4-bis(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C31 H28 F N3 O |
| Smiles: | Cc1ccc(cc1)C1=Cn2c(C(Nc3ccc(C)cc3)=O)c(c3ccc(cc3)F)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 7.59 |
| logD: | 7.59 |
| logSw: | -7.48 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.37 |
| InChI Key: | PZSDVBXEQWFGAM-UHFFFAOYSA-N |