N-[3-(4-ethylpiperazin-1-yl)propyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1366 |
| Compound Name: | N-[3-(4-ethylpiperazin-1-yl)propyl]-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C21 H29 N5 O3 S |
| Smiles: | CCN1CCN(CCCNC(c2c3CS(c4ccccc4c3n(C)n2)(=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.3518 |
| logD: | -0.5964 |
| logSw: | -2.2712 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.861 |
| InChI Key: | XTRGOTPOEHWCSC-UHFFFAOYSA-N |