2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-(2-methylpropane-2-sulfonyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-(2-methylpropane-2-sulfonyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-(2-methylpropane-2-sulfonyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C201-1295 |
| Compound Name: | 2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-(2-methylpropane-2-sulfonyl)[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C20 H23 N5 O5 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CN1C(N2C(C=CC(=N2)S(C(C)(C)C)(=O)=O)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9462 |
| logD: | 1.9462 |
| logSw: | -2.6493 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.592 |
| InChI Key: | SNKMSXYGHXCICW-UHFFFAOYSA-N |