N-{2-[butyl(ethyl)amino]ethyl}-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{2-[butyl(ethyl)amino]ethyl}-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-{2-[butyl(ethyl)amino]ethyl}-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1364 |
| Compound Name: | N-{2-[butyl(ethyl)amino]ethyl}-1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CCCCN(CC)CCNC(c1c2CS(c3ccccc3c2n(C)n1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9346 |
| logD: | 0.5292 |
| logSw: | -2.7549 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.278 |
| InChI Key: | NBKOYLUSTQZHFJ-UHFFFAOYSA-N |