4-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-0005 |
| Compound Name: | 4-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-phenyl-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: | CCc1ccc(cc1)c1c2CCCCN3C(c4ccc(cc4)OC)=Nn(c1C(Nc1ccccc1)=S)c23 |
| Stereo: | ACHIRAL |
| logP: | 8.2985 |
| logD: | 8.2985 |
| logSw: | -6.0571 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.6092 |
| InChI Key: | HYTDDWWPRTXFGH-UHFFFAOYSA-N |