4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8841 |
| Compound Name: | 4-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 526.1 |
| Molecular Formula: | C31 H28 Cl N3 O S |
| Smiles: | Cc1ccc(cc1)c1c2CCCCN3C(=Cn(c1C(Nc1ccc(cc1)OC)=S)c23)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.3686 |
| logD: | 8.3686 |
| logSw: | -7.1496 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.6734 |
| InChI Key: | DBDANGBZNTZCQA-UHFFFAOYSA-N |