3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
Chemical Structure Depiction of
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | F084-0677 |
| Compound Name: | 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide |
| Molecular Weight: | 459.95 |
| Molecular Formula: | C21 H22 Cl N5 O3 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(Nc3ccc(c(c3)[Cl])OC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.584 |
| logD: | 3.5835 |
| logSw: | -3.814 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.754 |
| InChI Key: | QOVVBHDWZZAWHQ-UHFFFAOYSA-N |