4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8859 |
| Compound Name: | 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(2-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: | Cc1ccccc1NC(c1c(c2ccc(cc2)OC)c2CCCCN3C(=Cn1c23)c1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 8.0622 |
| logD: | 8.0622 |
| logSw: | -6.7644 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 18.9755 |
| InChI Key: | MYGDFZYYHFVUJX-UHFFFAOYSA-N |