N-(3-chloro-4-methoxyphenyl)-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
N-(3-chloro-4-methoxyphenyl)-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
Compound characteristics
| Compound ID: | C200-3624 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide |
| Molecular Weight: | 417.87 |
| Molecular Formula: | C18 H16 Cl N5 O3 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCC(Nc3ccc(c(c3)[Cl])OC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0826 |
| logD: | 2.0821 |
| logSw: | -3.1039 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.542 |
| InChI Key: | AVTPUWSUMNPJBS-UHFFFAOYSA-N |