methyl 3-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl]amino}benzoate
methyl 3-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D627-0105 |
| Compound Name: | methyl 3-{[1-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl]amino}benzoate |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C20 H19 N3 O5 S2 |
| Smiles: | COC(c1cccc(c1)NC(c1cc(c2cccs2)n(C2CCS(C2)(=O)=O)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6993 |
| logD: | 2.6993 |
| logSw: | -3.2926 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.615 |
| InChI Key: | JHIWMFGHAZWHOQ-OAHLLOKOSA-N |