ethyl 2-[2-(4-butylanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-butylanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
ethyl 2-[2-(4-butylanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate
Compound characteristics
| Compound ID: | S349-0465 |
| Compound Name: | ethyl 2-[2-(4-butylanilino)-2-oxoethyl]-3-oxo-3,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6(2H)-carboxylate |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C22 H28 N4 O4 |
| Smiles: | CCCCc1ccc(cc1)NC(CN1C(C=C2CN(CCC2=N1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.567 |
| logD: | 3.567 |
| logSw: | -3.6514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.096 |
| InChI Key: | XPAQUDNAQYJKCB-UHFFFAOYSA-N |