4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0140 |
| Compound Name: | 4-(4-ethylphenyl)-N-(3-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 504.7 |
| Molecular Formula: | C32 H32 N4 S |
| Smiles: | CCc1ccc(cc1)c1c2CCCCN3C(c4ccc(C)cc4)=Nn(c1C(Nc1cccc(C)c1)=S)c23 |
| Stereo: | ACHIRAL |
| logP: | 9.2912 |
| logD: | 9.2912 |
| logSw: | -5.8276 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.0655 |
| InChI Key: | IRVLHKUGIHDNBJ-UHFFFAOYSA-N |