2-[(3-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[(3-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[(3-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0302 |
| Compound Name: | 2-[(3-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 452.92 |
| Molecular Formula: | C22 H17 Cl N4 O3 S |
| Smiles: | COc1ccccc1CN1C2=NN(Cc3cccc(c3)[Cl])C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6566 |
| logD: | 4.6566 |
| logSw: | -4.7869 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.584 |
| InChI Key: | IRQREGVLSMFWFN-UHFFFAOYSA-N |