methyl 2-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
methyl 2-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | J102-0097 |
| Compound Name: | methyl 2-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C19 H24 N4 O4 S |
| Smiles: | CC(C)c1c(C(=O)OC)nc(NC(CN2C(C=C3CCCCCC3=N2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2037 |
| logD: | 3.1833 |
| logSw: | -3.5227 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.704 |
| InChI Key: | JTMLKGWEQYIQBV-UHFFFAOYSA-N |