N-[(4-methoxyphenyl)methyl]-4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
N-[(4-methoxyphenyl)methyl]-4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
| Compound ID: | E596-0933 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C24 H29 N5 O3 S |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c(CCCC(NCc3ccc(cc3)OC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2393 |
| logD: | 3.2393 |
| logSw: | -3.6922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.99 |
| InChI Key: | XYSCAAACGWVGTI-UHFFFAOYSA-N |