methyl 4-[(1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
methyl 4-[(1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | E207-1572 |
| Compound Name: | methyl 4-[(1-methyl-5,5-dioxo-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carbonyl)amino]benzoate |
| Molecular Weight: | 411.43 |
| Molecular Formula: | C20 H17 N3 O5 S |
| Smiles: | Cn1c2c3ccccc3S(Cc2c(C(Nc2ccc(cc2)C(=O)OC)=O)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3978 |
| logD: | 2.3973 |
| logSw: | -2.9708 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.352 |
| InChI Key: | TVFKXOZMGMPZKS-UHFFFAOYSA-N |