methyl 3-(4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)thiophene-2-carboxylate
methyl 3-(4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | F616-0577 |
| Compound Name: | methyl 3-(4-{3-[(4-chlorophenyl)sulfanyl]-6-oxopyridazin-1(6H)-yl}benzamido)thiophene-2-carboxylate |
| Molecular Weight: | 497.98 |
| Molecular Formula: | C23 H16 Cl N3 O4 S2 |
| Smiles: | COC(c1c(ccs1)NC(c1ccc(cc1)N1C(C=CC(=N1)Sc1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.834 |
| logD: | 4.1149 |
| logSw: | -4.9952 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.133 |
| InChI Key: | JZYUZCGTTMIXBG-UHFFFAOYSA-N |