6-(tert-butylsulfanyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-(tert-butylsulfanyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
6-(tert-butylsulfanyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F804-1104 |
| Compound Name: | 6-(tert-butylsulfanyl)-2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H23 N5 O3 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CN1C(N2C(C=CC(=N2)SC(C)(C)C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2455 |
| logD: | 3.2455 |
| logSw: | -3.3686 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.456 |
| InChI Key: | DVTWIEYDNQYAMO-UHFFFAOYSA-N |