4-(4-methoxyphenyl)-N-(2-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-5188 |
| Compound Name: | 4-(4-methoxyphenyl)-N-(2-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C31 H30 N4 O2 S |
| Smiles: | Cc1ccccc1NC(c1c(c2ccc(cc2)OC)c2CCCCN3C(COc4ccccc4)=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 7.3484 |
| logD: | 7.3484 |
| logSw: | -5.9011 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.266 |
| InChI Key: | CGUYJOQOVHMHBB-UHFFFAOYSA-N |