6-{[(4-chlorophenyl)methyl]sulfanyl}-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-{[(4-chlorophenyl)methyl]sulfanyl}-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-{[(4-chlorophenyl)methyl]sulfanyl}-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: | F804-0096 |
| Compound Name: | 6-{[(4-chlorophenyl)methyl]sulfanyl}-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: | 481.96 |
| Molecular Formula: | C23 H20 Cl N5 O3 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CN1C(N2C(C=CC(=N2)SCc2ccc(cc2)[Cl])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9275 |
| logD: | 3.9275 |
| logSw: | -4.2951 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.185 |
| InChI Key: | QVVMAFXPFZMJLN-UHFFFAOYSA-N |