2-[(3-chlorophenyl)methyl]-4-(2-phenylethyl)-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-phenylethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[(3-chlorophenyl)methyl]-4-(2-phenylethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0244 |
| Compound Name: | 2-[(3-chlorophenyl)methyl]-4-(2-phenylethyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 436.92 |
| Molecular Formula: | C22 H17 Cl N4 O2 S |
| Smiles: | C(CN1C2=NN(Cc3cccc(c3)[Cl])C(N2c2ccsc2C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8037 |
| logD: | 4.8037 |
| logSw: | -4.8716 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.932 |
| InChI Key: | SSFONNXZNHXNEW-UHFFFAOYSA-N |