methyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D223-0620 |
| Compound Name: | methyl 2-{[1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | [H]N(C(C1C(C=CN(c2cccc(C)c2)N=1)=O)=O)c1c(C(=O)OC)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6542 |
| logD: | -1.8794 |
| logSw: | -4.1998 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.995 |
| InChI Key: | LNUPYYWTWPPGIZ-UHFFFAOYSA-N |