N-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methylbenzene-1-sulfonamide
N-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L283-0110 |
| Compound Name: | N-{4-[(6-ethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C21 H21 N5 O2 S2 |
| Smiles: | CCc1c(C)nc2ncnn2c1Sc1ccc(cc1)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7318 |
| logD: | 4.7079 |
| logSw: | -4.4983 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.945 |
| InChI Key: | NYUWCTJCTBQKMJ-UHFFFAOYSA-N |