N-(4-chlorophenyl)-1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
N-(4-chlorophenyl)-1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-0007 |
| Compound Name: | N-(4-chlorophenyl)-1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 497.06 |
| Molecular Formula: | C29 H25 Cl N4 S |
| Smiles: | Cc1ccc(cc1)C1=Nn2c(C(Nc3ccc(cc3)[Cl])=S)c(c3ccccc3)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 8.4902 |
| logD: | 8.4899 |
| logSw: | -6.8595 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.0655 |
| InChI Key: | CHPHSVPDMUNFSX-UHFFFAOYSA-N |