4-(4-fluorophenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
Chemical Structure Depiction of
4-(4-fluorophenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
4-(4-fluorophenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
Compound characteristics
| Compound ID: | 8013-0522 |
| Compound Name: | 4-(4-fluorophenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C26 H28 F N3 O |
| Smiles: | CC(C)c1ccc(C)cc1OCC1=Nn2cc(c3ccc(cc3)F)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 7.0949 |
| logD: | 7.0949 |
| logSw: | -5.5781 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 23.5859 |
| InChI Key: | WBZNMGAQWKZHHF-UHFFFAOYSA-N |