N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3,4-dimethoxybenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3,4-dimethoxybenzene-1-sulfonamide
N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3,4-dimethoxybenzene-1-sulfonamide
Compound characteristics
| Compound ID: | SC45-0895 |
| Compound Name: | N-[(5-benzyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-3,4-dimethoxybenzene-1-sulfonamide |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C21 H23 N5 O5 S |
| Smiles: | COc1ccc(cc1OC)S(NCc1c2CN(Cc3ccccc3)C(Cn2nn1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7303 |
| logD: | 0.7195 |
| logSw: | -2.4968 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.831 |
| InChI Key: | OTQJGIPXYBIWIA-UHFFFAOYSA-N |