2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | L397-0252 |
| Compound Name: | 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Smiles: | CC(C)CCN1C2=NN(CC(N3CCC(CC3)Cc3ccccc3)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5244 |
| logD: | 4.5244 |
| logSw: | -4.2013 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.325 |
| InChI Key: | NZXRDIAVFQTJRY-UHFFFAOYSA-N |