7-methyl-12-(2-methylphenyl)-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
Chemical Structure Depiction of
7-methyl-12-(2-methylphenyl)-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
7-methyl-12-(2-methylphenyl)-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
Compound characteristics
| Compound ID: | C446-0155 |
| Compound Name: | 7-methyl-12-(2-methylphenyl)-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: | Cc1ccc2c(c1)C1C3CCCC3(N(C(N1)=S)c1ccccc1C)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.913 |
| logD: | 4.913 |
| logSw: | -4.6554 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.4198 |
| InChI Key: | RUZJPNDXKAJDBX-UHFFFAOYSA-N |