N-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-5-chlorothiophene-2-sulfonamide
Chemical Structure Depiction of
N-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-5-chlorothiophene-2-sulfonamide
N-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-5-chlorothiophene-2-sulfonamide
Compound characteristics
| Compound ID: | SC45-1064 |
| Compound Name: | N-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-5-chlorothiophene-2-sulfonamide |
| Molecular Weight: | 451.95 |
| Molecular Formula: | C18 H18 Cl N5 O3 S2 |
| Smiles: | CC1C(N(Cc2ccccc2)Cc2c(CNS(c3ccc(s3)[Cl])(=O)=O)nnn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0311 |
| logD: | 1.9544 |
| logSw: | -2.8495 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.72 |
| InChI Key: | WYRQCWFPCKYSLG-LBPRGKRZSA-N |