4-(4-chlorophenyl)-N-(3-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-chlorophenyl)-N-(3-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-chlorophenyl)-N-(3-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-5826 |
| Compound Name: | 4-(4-chlorophenyl)-N-(3-methylphenyl)-1-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 583.2 |
| Molecular Formula: | C34 H35 Cl N4 O S |
| Smiles: | CC(C)c1ccc(C)cc1OCC1=Nn2c(C(Nc3cccc(C)c3)=S)c(c3ccc(cc3)[Cl])c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 10.0138 |
| logD: | 10.0138 |
| logSw: | -6.7218 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.5071 |
| InChI Key: | CUGFKWYHHICQSK-UHFFFAOYSA-N |