4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-4411 |
| Compound Name: | 4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 557.11 |
| Molecular Formula: | C31 H29 Cl N4 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(c1c(c2ccc(cc2)[Cl])c2CCCCN3C(c4ccc(cc4)OC)=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 8.5233 |
| logD: | 8.5232 |
| logSw: | -7.1816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.733 |
| InChI Key: | UOWCOWFVWSFHOC-UHFFFAOYSA-N |