4-chloro-N-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-2-phenylethyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-2-phenylethyl}benzene-1-sulfonamide
4-chloro-N-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-2-phenylethyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 6691-0352 |
| Compound Name: | 4-chloro-N-{2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-2-phenylethyl}benzene-1-sulfonamide |
| Molecular Weight: | 474 |
| Molecular Formula: | C21 H20 Cl N5 O2 S2 |
| Smiles: | Cc1cc(C)n2c(nnc2n1)SC(CNS(c1ccc(cc1)[Cl])(=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2846 |
| logD: | 4.2845 |
| logSw: | -4.5997 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.411 |
| InChI Key: | ZHVCNYWYKDEHPD-IBGZPJMESA-N |