1-(4-chlorophenyl)-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
1-(4-chlorophenyl)-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
1-(4-chlorophenyl)-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8013-2365 |
| Compound Name: | 1-(4-chlorophenyl)-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 496.07 |
| Molecular Formula: | C30 H26 Cl N3 S |
| Smiles: | Cc1cccc(c1)NC(c1c(c2ccc(cc2)[Cl])c2CCCCN3C(=Cn1c23)c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 8.2177 |
| logD: | 8.2177 |
| logSw: | -6.6326 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.1296 |
| InChI Key: | QPWJJFSFGNBGPK-UHFFFAOYSA-N |