ethyl 2-{[(1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{[(1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5809 |
| Compound Name: | ethyl 2-{[(1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 406.52 |
| Molecular Formula: | C18 H22 N4 O3 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(NC(c1ccnn1C)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4545 |
| logD: | 2.2623 |
| logSw: | -3.9723 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.69 |
| InChI Key: | SZEOLSACEZTPLK-UHFFFAOYSA-N |