N-(3-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
N-(3-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
N-(3-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-5836 |
| Compound Name: | N-(3-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 548.75 |
| Molecular Formula: | C34 H36 N4 O S |
| Smiles: | CC(C)c1ccc(C)cc1OCC1=Nn2c(C(Nc3cccc(C)c3)=S)c(c3ccccc3)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 9.314 |
| logD: | 9.314 |
| logSw: | -5.8339 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.5071 |
| InChI Key: | FCRVLSGNOQRVRD-UHFFFAOYSA-N |