N-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-2-phenylethyl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-2-phenylethyl}-4-methylbenzene-1-sulfonamide
N-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-2-phenylethyl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 6691-0353 |
| Compound Name: | N-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-2-phenylethyl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C22 H23 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)S(NCC(c1ccccc1)Sc1nnc2nc(C)cc(C)n12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1132 |
| logD: | 4.1132 |
| logSw: | -4.0885 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.411 |
| InChI Key: | GUGXCNKDISCAOH-FQEVSTJZSA-N |