ethyl 2-{[(3-bromophenyl)carbamothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-bromophenyl)carbamothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
ethyl 2-{[(3-bromophenyl)carbamothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 5627-0087 |
| Compound Name: | ethyl 2-{[(3-bromophenyl)carbamothioyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate |
| Molecular Weight: | 469.42 |
| Molecular Formula: | C19 H21 Br N2 O3 S2 |
| Smiles: | CCOC(c1c2CC(C)(C)OCc2sc1NC(Nc1cccc(c1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.635 |
| logD: | 4.4697 |
| logSw: | -5.5166 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.227 |
| InChI Key: | DDLINDLEOJIXLF-UHFFFAOYSA-N |