6-benzyl-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl][1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
6-benzyl-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl][1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
6-benzyl-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl][1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | P422-1002 |
| Compound Name: | 6-benzyl-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl][1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C21 H19 N7 O3 S |
| Smiles: | C1CN(CCN1C(c1c2c(C(N(Cc3ccccc3)C(N2)=O)=O)ns1)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 2.1519 |
| logD: | 1.8365 |
| logSw: | -2.671 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.852 |
| InChI Key: | HUZZQBGVSKJZEC-UHFFFAOYSA-N |