2-[(4-bromophenyl)methyl]-4-(2-methylpropyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[(4-bromophenyl)methyl]-4-(2-methylpropyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[(4-bromophenyl)methyl]-4-(2-methylpropyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0112 |
| Compound Name: | 2-[(4-bromophenyl)methyl]-4-(2-methylpropyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 433.32 |
| Molecular Formula: | C18 H17 Br N4 O2 S |
| Smiles: | CC(C)CN1C2=NN(Cc3ccc(cc3)[Br])C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5223 |
| logD: | 4.5223 |
| logSw: | -4.2045 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.225 |
| InChI Key: | JRADFRSLGRXGEY-UHFFFAOYSA-N |