methyl 2-[(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-5142 |
| Compound Name: | methyl 2-[(4-chloro-1-methyl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 353.83 |
| Molecular Formula: | C15 H16 Cl N3 O3 S |
| Smiles: | Cn1cc(c(C(Nc2c(C(=O)OC)c3CCCCc3s2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8034 |
| logD: | -0.9607 |
| logSw: | -3.7826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.574 |
| InChI Key: | VXGYSHUXSLXNGW-UHFFFAOYSA-N |