12-(2,6-dimethylphenyl)-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
Chemical Structure Depiction of
12-(2,6-dimethylphenyl)-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
12-(2,6-dimethylphenyl)-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
Compound characteristics
| Compound ID: | C446-0011 |
| Compound Name: | 12-(2,6-dimethylphenyl)-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione |
| Molecular Weight: | 350.48 |
| Molecular Formula: | C21 H22 N2 O S |
| Smiles: | Cc1cccc(C)c1N1C(NC2C3CCCC13Oc1ccccc12)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8714 |
| logD: | 4.8714 |
| logSw: | -4.6564 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.1188 |
| InChI Key: | SWFMSYXFTPRJLR-UHFFFAOYSA-N |