methyl 3-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)thiophene-2-carboxylate
methyl 3-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C696-0944 |
| Compound Name: | methyl 3-(2-{1-oxo-4-[(pyridin-4-yl)methyl]phthalazin-2(1H)-yl}acetamido)thiophene-2-carboxylate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | COC(c1c(ccs1)NC(CN1C(c2ccccc2C(Cc2ccncc2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8595 |
| logD: | 1.8419 |
| logSw: | -2.5881 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.171 |
| InChI Key: | PVWAXDQDKHPPPP-UHFFFAOYSA-N |