methyl 3-[2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]thiophene-2-carboxylate
methyl 3-[2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C618-0870 |
| Compound Name: | methyl 3-[2-(8-methyl-4-oxo[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamido]thiophene-2-carboxylate |
| Molecular Weight: | 397.41 |
| Molecular Formula: | C19 H15 N3 O5 S |
| Smiles: | Cc1ccc2c(c1)c1c(cnn1CC(Nc1ccsc1C(=O)OC)=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.6508 |
| logD: | 2.6234 |
| logSw: | -2.9954 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.102 |
| InChI Key: | NKDZXVCKSIFCMQ-UHFFFAOYSA-N |