3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
Chemical Structure Depiction of
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione
Compound characteristics
| Compound ID: | E207-1417 |
| Compound Name: | 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-methyl-1,4-dihydro-5H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-5,5-dione |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | Cn1c2c3ccccc3S(Cc2c(C(N2CCN(CC2)C(c2ccco2)=O)=O)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6662 |
| logD: | 0.6662 |
| logSw: | -2.1703 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.77 |
| InChI Key: | HVNBUWHEGJXMCO-UHFFFAOYSA-N |