2-butyl-4-{[4-(propan-2-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-butyl-4-{[4-(propan-2-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-butyl-4-{[4-(propan-2-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | F816-0430 |
| Compound Name: | 2-butyl-4-{[4-(propan-2-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | CCCCN1C(N2C(=N1)N(Cc1ccc(cc1)C(C)C)C(c1c2ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1804 |
| logD: | 5.1804 |
| logSw: | -4.8813 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.204 |
| InChI Key: | GIMKSTPGRVADKR-UHFFFAOYSA-N |