1-[(4-chloroanilino)methyl]-4-(4-chlorophenyl)-N-(4-ethylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
1-[(4-chloroanilino)methyl]-4-(4-chlorophenyl)-N-(4-ethylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-[(4-chloroanilino)methyl]-4-(4-chlorophenyl)-N-(4-ethylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-0003 |
| Compound Name: | 1-[(4-chloroanilino)methyl]-4-(4-chlorophenyl)-N-(4-ethylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 574.58 |
| Molecular Formula: | C31 H29 Cl2 N5 S |
| Smiles: | CCc1ccc(cc1)NC(c1c(c2ccc(cc2)[Cl])c2CCCCN3C(CNc4ccc(cc4)[Cl])=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 9.3856 |
| logD: | 9.3856 |
| logSw: | -7.2217 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.427 |
| InChI Key: | QJCZYZWLYDCEBJ-UHFFFAOYSA-N |