2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-[(4-methylphenyl)sulfanyl][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-[(4-methylphenyl)sulfanyl][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-[(4-methylphenyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F804-0596 |
| Compound Name: | 2-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-[(4-methylphenyl)sulfanyl][1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C23 H21 N5 O3 S |
| Smiles: | Cc1ccc(cc1)SC1C=CC2=NN(CC(N3CCOc4ccc(C)cc34)=O)C(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1774 |
| logD: | 4.1774 |
| logSw: | -4.2896 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.185 |
| InChI Key: | GZPKGKWVUSFIDZ-UHFFFAOYSA-N |