4-(4-fluorophenyl)-N-(4-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Chemical Structure Depiction of
4-(4-fluorophenyl)-N-(4-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
4-(4-fluorophenyl)-N-(4-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Compound characteristics
| Compound ID: | 8013-4409 |
| Compound Name: | 4-(4-fluorophenyl)-N-(4-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide |
| Molecular Weight: | 550.68 |
| Molecular Formula: | C34 H35 F N4 O2 |
| Smiles: | CC(C)c1ccc(C)cc1OCC1=Nn2c(C(Nc3ccc(C)cc3)=O)c(c3ccc(cc3)F)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 8.8534 |
| logD: | 8.8534 |
| logSw: | -5.7105 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.117 |
| InChI Key: | FFQMXTZZEAIJAP-UHFFFAOYSA-N |