4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0110 |
| Compound Name: | 4-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 525.12 |
| Molecular Formula: | C31 H29 Cl N4 S |
| Smiles: | Cc1ccc(cc1)C1=Nn2c(C(Nc3cc(C)ccc3C)=S)c(c3ccc(cc3)[Cl])c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 8.9587 |
| logD: | 8.9587 |
| logSw: | -6.9764 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.3676 |
| InChI Key: | WZWQJAIXTJVTAV-UHFFFAOYSA-N |