N~1~-(5,5-dioxo-2-phenyl-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-N~2~-(prop-2-en-1-yl)ethanediamide
Chemical Structure Depiction of
N~1~-(5,5-dioxo-2-phenyl-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-N~2~-(prop-2-en-1-yl)ethanediamide
N~1~-(5,5-dioxo-2-phenyl-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-N~2~-(prop-2-en-1-yl)ethanediamide
Compound characteristics
| Compound ID: | G857-1075 |
| Compound Name: | N~1~-(5,5-dioxo-2-phenyl-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-N~2~-(prop-2-en-1-yl)ethanediamide |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C16 H16 N4 O4 S |
| Smiles: | C=CCNC(C(Nc1c2CS(Cc2nn1c1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1309 |
| logD: | -1.1826 |
| logSw: | -2.1675 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.499 |
| InChI Key: | XXVBXFSBWHOANQ-UHFFFAOYSA-N |