4-butyl-2-[(4-chlorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
4-butyl-2-[(4-chlorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-butyl-2-[(4-chlorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0118 |
| Compound Name: | 4-butyl-2-[(4-chlorophenyl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 388.87 |
| Molecular Formula: | C18 H17 Cl N4 O2 S |
| Smiles: | CCCCN1C2=NN(Cc3ccc(cc3)[Cl])C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3054 |
| logD: | 4.3054 |
| logSw: | -4.43 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.204 |
| InChI Key: | YQAQGWJRXXCRQN-UHFFFAOYSA-N |