N-(2-methylphenyl)-4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N-(2-methylphenyl)-4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N-(2-methylphenyl)-4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8863 |
| Compound Name: | N-(2-methylphenyl)-4-(4-methylphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 475.66 |
| Molecular Formula: | C31 H29 N3 S |
| Smiles: | Cc1ccc(cc1)C1=Cn2c(C(Nc3ccccc3C)=S)c(c3ccccc3)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 7.8034 |
| logD: | 7.8034 |
| logSw: | -6.0131 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 11.4318 |
| InChI Key: | MYWHLMBEWCIXNN-UHFFFAOYSA-N |