4-(4-bromophenyl)-N-(3-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-bromophenyl)-N-(3-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-bromophenyl)-N-(3-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-1863 |
| Compound Name: | 4-(4-bromophenyl)-N-(3-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 541.51 |
| Molecular Formula: | C29 H25 Br N4 S |
| Smiles: | Cc1cccc(c1)NC(c1c(c2ccc(cc2)[Br])c2CCCCN3C(c4ccccc4)=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 8.666 |
| logD: | 8.666 |
| logSw: | -5.9871 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.0655 |
| InChI Key: | HKLBNYAVJMPYJJ-UHFFFAOYSA-N |