4-(4-methoxyphenyl)-N-(2-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0101 |
| Compound Name: | 4-(4-methoxyphenyl)-N-(2-methylphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 506.67 |
| Molecular Formula: | C31 H30 N4 O S |
| Smiles: | Cc1ccc(cc1)C1=Nn2c(C(Nc3ccccc3C)=S)c(c3ccc(cc3)OC)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 8.1 |
| logD: | 8.1 |
| logSw: | -5.983 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.9114 |
| InChI Key: | VPHDPUMFFIZNKB-UHFFFAOYSA-N |