butyl 4-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}benzoate
butyl 4-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D223-0297 |
| Compound Name: | butyl 4-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carbonyl]amino}benzoate |
| Molecular Weight: | 425.87 |
| Molecular Formula: | C22 H20 Cl N3 O4 |
| Smiles: | [H]N(C(C1C(C=CN(c2ccc(cc2)[Cl])N=1)=O)=O)c1ccc(cc1)C(=O)OCCCC |
| Stereo: | ACHIRAL |
| logP: | 5.0413 |
| logD: | 4.8449 |
| logSw: | -5.1613 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.788 |
| InChI Key: | SXDHVFUSSNNYSV-UHFFFAOYSA-N |