N-(4-ethoxyphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N-(4-ethoxyphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8014-6043 |
| Compound Name: | N-(4-ethoxyphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 491.66 |
| Molecular Formula: | C31 H29 N3 O S |
| Smiles: | CCOc1ccc(cc1)NC(c1c(c2ccccc2)c2CCCCN3C(=Cn1c23)c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 7.5269 |
| logD: | 7.5269 |
| logSw: | -5.901 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.2532 |
| InChI Key: | ZNDINKXBMAUECY-UHFFFAOYSA-N |