methyl 5-(2-methylpropyl)-2-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-(2-methylpropyl)-2-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]-1,3-thiazole-4-carboxylate
methyl 5-(2-methylpropyl)-2-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | J102-0098 |
| Compound Name: | methyl 5-(2-methylpropyl)-2-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C20 H26 N4 O4 S |
| Smiles: | CC(C)Cc1c(C(=O)OC)nc(NC(CN2C(C=C3CCCCCC3=N2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7147 |
| logD: | 3.6934 |
| logSw: | -3.9606 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.704 |
| InChI Key: | RWQRMYABYZAFLD-UHFFFAOYSA-N |