N-(3-chloro-4-methoxyphenyl)-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
N-(3-chloro-4-methoxyphenyl)-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | G423-0559 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide |
| Molecular Weight: | 469.9 |
| Molecular Formula: | C23 H21 Cl F N5 O3 |
| Smiles: | CC(CC(Nc1ccc(c(c1)[Cl])OC)=O)Cc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7537 |
| logD: | 2.7529 |
| logSw: | -3.4752 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.876 |
| InChI Key: | QRSKQQXDKJFMNR-CQSZACIVSA-N |