1-methyl-5,5-dioxo-N-[(thiophen-2-yl)methyl]-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-5,5-dioxo-N-[(thiophen-2-yl)methyl]-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
1-methyl-5,5-dioxo-N-[(thiophen-2-yl)methyl]-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | E207-1409 |
| Compound Name: | 1-methyl-5,5-dioxo-N-[(thiophen-2-yl)methyl]-4,5-dihydro-1H-5lambda~6~-[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C17 H15 N3 O3 S2 |
| Smiles: | Cn1c2c3ccccc3S(Cc2c(C(NCc2cccs2)=O)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8733 |
| logD: | 1.8733 |
| logSw: | -2.6985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.519 |
| InChI Key: | NXQPJHMQQJMPSC-UHFFFAOYSA-N |