N-(4-methoxyphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
N-(4-methoxyphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | F804-0138 |
| Compound Name: | N-(4-methoxyphenyl)-2-[3-oxo-6-(phenylsulfanyl)[1,2,4]triazolo[4,3-b]pyridazin-2(3H)-yl]acetamide |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C20 H17 N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(CN1C(N2C(C=CC(=N2)Sc2ccccc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6641 |
| logD: | 3.6641 |
| logSw: | -3.9472 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.869 |
| InChI Key: | KQFNVXFWNGPSGQ-UHFFFAOYSA-N |