ethyl 4-[11-sulfanylidene-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-12-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[11-sulfanylidene-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-12-yl]benzoate
ethyl 4-[11-sulfanylidene-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-12-yl]benzoate
Compound characteristics
| Compound ID: | C446-0029 |
| Compound Name: | ethyl 4-[11-sulfanylidene-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-12-yl]benzoate |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C22 H22 N2 O3 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(NC2C3CCCC13Oc1ccccc12)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6864 |
| logD: | 4.6864 |
| logSw: | -4.35 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.474 |
| InChI Key: | NWLJASIUGIHFGB-UHFFFAOYSA-N |