7-(2-fluorobenzene-1-sulfonyl)-2-methyl-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-(2-fluorobenzene-1-sulfonyl)-2-methyl-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-(2-fluorobenzene-1-sulfonyl)-2-methyl-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S901-0376 |
| Compound Name: | 7-(2-fluorobenzene-1-sulfonyl)-2-methyl-8-phenyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C18 H17 F N4 O3 S |
| Smiles: | CN1C(N2CCN(C(C2=N1)c1ccccc1)S(c1ccccc1F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8686 |
| logD: | 2.8686 |
| logSw: | -3.2284 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.698 |
| InChI Key: | XKUPTQXZPWUYJF-MRXNPFEDSA-N |