N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-6950 |
| Compound Name: | N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1-phenyl-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: | CCOc1ccc(cc1)NC(c1c(c2ccc(cc2)OC)c2CCCCN3C(c4ccccc4)=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 7.8235 |
| logD: | 7.8235 |
| logSw: | -5.9896 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.733 |
| InChI Key: | FEMLSUDXJZEJEF-UHFFFAOYSA-N |