ethyl 2-{[(4-methylphenyl)carbamothioyl]amino}-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-methylphenyl)carbamothioyl]amino}-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
ethyl 2-{[(4-methylphenyl)carbamothioyl]amino}-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 5627-0080 |
| Compound Name: | ethyl 2-{[(4-methylphenyl)carbamothioyl]amino}-5-(propan-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate |
| Molecular Weight: | 418.58 |
| Molecular Formula: | C21 H26 N2 O3 S2 |
| Smiles: | CCOC(c1c2CC(C(C)C)OCc2sc1NC(Nc1ccc(C)cc1)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7241 |
| logD: | 5.3147 |
| logSw: | -5.5132 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.882 |
| InChI Key: | HCZSYRNRPHPCAP-MRXNPFEDSA-N |