1-methyl-5,5-dioxo-N-(4-phenylbutan-2-yl)-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-5,5-dioxo-N-(4-phenylbutan-2-yl)-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1-methyl-5,5-dioxo-N-(4-phenylbutan-2-yl)-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1446 |
| Compound Name: | 1-methyl-5,5-dioxo-N-(4-phenylbutan-2-yl)-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | CC(CCc1ccccc1)NC(c1c2CS(c3ccccc3c2n(C)n1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6193 |
| logD: | 2.6193 |
| logSw: | -3.3649 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.942 |
| InChI Key: | XHHBVBHLAWQRES-HNNXBMFYSA-N |