methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0203 |
| Compound Name: | methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 440.97 |
| Molecular Formula: | C18 H21 Cl N4 O3 S2 |
| Smiles: | Cc1c(c(C(NC(Nc2c(C(=O)OC)c3CCCCCc3s2)=S)=O)n(C)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8929 |
| logD: | 1.7868 |
| logSw: | -4.8948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.328 |
| InChI Key: | WPGOUXIVWTUKOY-UHFFFAOYSA-N |