N-(5-chloro-2,4-dimethoxyphenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M451-1910 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[8-(cyclohexylsulfanyl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamide |
| Molecular Weight: | 477.97 |
| Molecular Formula: | C21 H24 Cl N5 O4 S |
| Smiles: | COc1cc(c(cc1NC(CN1C(N2C=CN=C(C2=N1)SC1CCCCC1)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.486 |
| logD: | 3.4838 |
| logSw: | -3.7966 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.342 |
| InChI Key: | YUVLKMCRWWOBGD-UHFFFAOYSA-N |