N-(4-ethylphenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N-(4-ethylphenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8890 |
| Compound Name: | N-(4-ethylphenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 519.71 |
| Molecular Formula: | C33 H33 N3 O S |
| Smiles: | CCc1ccc(cc1)NC(c1c(c2ccc(C)cc2)c2CCCCN3C(=Cn1c23)c1ccc(cc1)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 8.7045 |
| logD: | 8.7045 |
| logSw: | -6.0115 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.6734 |
| InChI Key: | JPGYVUSHIFCIIN-UHFFFAOYSA-N |