7-bromo-12-(3-chlorophenyl)-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
Chemical Structure Depiction of
7-bromo-12-(3-chlorophenyl)-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
7-bromo-12-(3-chlorophenyl)-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione
Compound characteristics
| Compound ID: | C200-1454 |
| Compound Name: | 7-bromo-12-(3-chlorophenyl)-2,3,9,9a-tetrahydro-1H-3a,9-(epiminomethanoimino)benzo[b]cyclopenta[e]pyran-11-thione |
| Molecular Weight: | 435.77 |
| Molecular Formula: | C19 H16 Br Cl N2 O S |
| Smiles: | C1CC2C3c4cc(ccc4OC2(C1)N(C(N3)=S)c1cccc(c1)[Cl])[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5083 |
| logD: | 5.5083 |
| logSw: | -5.9234 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.7207 |
| InChI Key: | LWZPLZNHNPFDOQ-UHFFFAOYSA-N |