1-(3,4-dichlorophenyl)-4-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-4-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
1-(3,4-dichlorophenyl)-4-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8901 |
| Compound Name: | 1-(3,4-dichlorophenyl)-4-(4-methylphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 530.52 |
| Molecular Formula: | C30 H25 Cl2 N3 S |
| Smiles: | Cc1ccc(cc1)C1=Cn2c(C(Nc3ccccc3)=S)c(c3ccc(c(c3)[Cl])[Cl])c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 8.6592 |
| logD: | 8.6592 |
| logSw: | -6.9268 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.1296 |
| InChI Key: | NXFHMSJRONLSOS-UHFFFAOYSA-N |