methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-9742 |
| Compound Name: | methyl 2-{[(4-chloro-1,3-dimethyl-1H-pyrazole-5-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 426.94 |
| Molecular Formula: | C17 H19 Cl N4 O3 S2 |
| Smiles: | Cc1c(c(C(NC(Nc2c(C(=O)OC)c3CCCCc3s2)=S)=O)n(C)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.397 |
| logD: | 1.2909 |
| logSw: | -4.7082 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.997 |
| InChI Key: | MYFIKRXWVFSTKW-UHFFFAOYSA-N |