4-(4-chlorophenyl)-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-chlorophenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
4-(4-chlorophenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
Compound characteristics
| Compound ID: | 8014-5835 |
| Compound Name: | 4-(4-chlorophenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene |
| Molecular Weight: | 433.98 |
| Molecular Formula: | C26 H28 Cl N3 O |
| Smiles: | CC(C)c1ccc(C)cc1OCC1=Nn2cc(c3ccc(cc3)[Cl])c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 7.6606 |
| logD: | 7.6606 |
| logSw: | -6.4685 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 23.5859 |
| InChI Key: | PMRKXCXUNXRYBD-UHFFFAOYSA-N |