ethyl 4-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoate
ethyl 4-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | C719-0018 |
| Compound Name: | ethyl 4-{[1-(adamantan-1-yl)-5-chloro-6-oxo-1,6-dihydropyridazin-4-yl]amino}benzoate |
| Molecular Weight: | 427.93 |
| Molecular Formula: | C23 H26 Cl N3 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4406 |
| logD: | 5.4406 |
| logSw: | -6.0424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.249 |
| InChI Key: | VQKWWNXTKJOBKQ-UHFFFAOYSA-N |