1-(2-chlorophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
1-(2-chlorophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-(2-chlorophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-7237 |
| Compound Name: | 1-(2-chlorophenyl)-N-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 517.48 |
| Molecular Formula: | C28 H22 Cl2 N4 S |
| Smiles: | C1CCN2C(c3ccccc3[Cl])=Nn3c(C(Nc4ccc(cc4)[Cl])=S)c(c4ccccc4)c(C1)c23 |
| Stereo: | ACHIRAL |
| logP: | 8.48 |
| logD: | 8.4797 |
| logSw: | -7.0686 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.0655 |
| InChI Key: | UTUOGEAMLIEGJS-UHFFFAOYSA-N |