N-(3-chloro-4-methylphenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(3-chloro-4-methylphenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M451-0325 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-[3-oxo-8-(phenylsulfanyl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C20 H16 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C(N2C=CN=C(C2=N1)Sc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9904 |
| logD: | 3.9904 |
| logSw: | -4.3312 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.586 |
| InChI Key: | VSEMSOUGZJMBNT-UHFFFAOYSA-N |