ethyl 3-(2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamido)benzoate
ethyl 3-(2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamido)benzoate
Compound characteristics
| Compound ID: | L414-0850 |
| Compound Name: | ethyl 3-(2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamido)benzoate |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(C(C)SC1C=CC(N(c2ccc(C)c(C)c2)N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4259 |
| logD: | 5.4259 |
| logSw: | -5.3438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.664 |
| InChI Key: | ZMYMETYVRXZOJA-KRWDZBQOSA-N |