N,4-bis(4-chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
N,4-bis(4-chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
N,4-bis(4-chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8012-9856 |
| Compound Name: | N,4-bis(4-chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 531.51 |
| Molecular Formula: | C29 H24 Cl2 N4 S |
| Smiles: | Cc1ccc(cc1)C1=Nn2c(C(Nc3ccc(cc3)[Cl])=S)c(c3ccc(cc3)[Cl])c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 9.19 |
| logD: | 9.1897 |
| logSw: | -7.1999 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.0655 |
| InChI Key: | QWGAZYGGMNFJIY-UHFFFAOYSA-N |