1-(4-chlorophenyl)-N-(4-ethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
1-(4-chlorophenyl)-N-(4-ethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
1-(4-chlorophenyl)-N-(4-ethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8897 |
| Compound Name: | 1-(4-chlorophenyl)-N-(4-ethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 510.1 |
| Molecular Formula: | C31 H28 Cl N3 S |
| Smiles: | CCc1ccc(cc1)NC(c1c(c2ccc(cc2)[Cl])c2CCCCN3C(=Cn1c23)c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 8.7884 |
| logD: | 8.7884 |
| logSw: | -6.8672 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.1296 |
| InChI Key: | VIVWAPNSJXEZKO-UHFFFAOYSA-N |