N-(5-chloro-2-methoxyphenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F798-0290 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 477.99 |
| Molecular Formula: | C20 H20 Cl N5 O3 S2 |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c1nnc2SCC(Nc1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9997 |
| logD: | 3.9967 |
| logSw: | -4.4861 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.684 |
| InChI Key: | KTICOWBJGOGCBP-UHFFFAOYSA-N |