N-(butan-2-yl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
N-(butan-2-yl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide
Compound characteristics
| Compound ID: | F804-0587 |
| Compound Name: | N-(butan-2-yl)-2-{6-[(4-methylphenyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl}acetamide |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C18 H21 N5 O2 S |
| Smiles: | CCC(C)NC(CN1C(N2C(C=CC(=N2)Sc2ccc(C)cc2)=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3405 |
| logD: | 3.3405 |
| logSw: | -3.5683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.361 |
| InChI Key: | FLHAKSAOMZHYHG-ZDUSSCGKSA-N |