N-benzyl-1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N-benzyl-1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N-benzyl-1-(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8895 |
| Compound Name: | N-benzyl-1-(4-methylphenyl)-4-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)c1c2CCCCN3C(=Cn(c1C(NCc1ccccc1)=S)c23)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.234 |
| logD: | 7.234 |
| logSw: | -6.0027 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 13.4517 |
| InChI Key: | TXYKWEJYSWOEKV-UHFFFAOYSA-N |