methyl 2-{[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D223-0780 |
| Compound Name: | methyl 2-{[1-(4-ethoxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | [H]N(C(C1C(C=CN(c2ccc(cc2)OCC)N=1)=O)=O)c1c(C(=O)OC)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5555 |
| logD: | -1.9781 |
| logSw: | -3.982 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.118 |
| InChI Key: | YVXNWZIPBBLQGG-UHFFFAOYSA-N |