N-(3-chloro-2-methylphenyl)-2-{[5,7-dimethyl-6-(prop-2-en-1-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[5,7-dimethyl-6-(prop-2-en-1-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[5,7-dimethyl-6-(prop-2-en-1-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K784-7583 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[5,7-dimethyl-6-(prop-2-en-1-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 401.92 |
| Molecular Formula: | C19 H20 Cl N5 O S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSc1nc2nc(C)c(CC=C)c(C)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9113 |
| logD: | 3.9111 |
| logSw: | -4.0832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.278 |
| InChI Key: | NLLLCHSPXXOGGU-UHFFFAOYSA-N |