2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide
2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C179-0126 |
| Compound Name: | 2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 437.58 |
| Molecular Formula: | C22 H23 N5 O S2 |
| Smiles: | Cc1cccc(Cc2c(C)nc3nc(nn3c2C)SCC(NCc2cccs2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3956 |
| logD: | 4.3955 |
| logSw: | -4.416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.045 |
| InChI Key: | VJHYSJSGNDXDSR-UHFFFAOYSA-N |