5-methoxy-12-[3-(methylsulfanyl)phenyl]-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
Chemical Structure Depiction of
5-methoxy-12-[3-(methylsulfanyl)phenyl]-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
5-methoxy-12-[3-(methylsulfanyl)phenyl]-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
Compound characteristics
| Compound ID: | C446-0050 |
| Compound Name: | 5-methoxy-12-[3-(methylsulfanyl)phenyl]-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione |
| Molecular Weight: | 398.54 |
| Molecular Formula: | C21 H22 N2 O2 S2 |
| Smiles: | COc1cccc2C3C4CCCC4(N(C(N3)=S)c3cccc(c3)SC)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4448 |
| logD: | 4.4448 |
| logSw: | -4.4489 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.0354 |
| InChI Key: | AIMQGXDXOKTHHQ-UHFFFAOYSA-N |