6-benzyl-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
6-benzyl-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
6-benzyl-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | P422-0991 |
| Compound Name: | 6-benzyl-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C22 H18 N4 O3 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1c2c(C(N(Cc3ccccc3)C(N2)=O)=O)ns1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2213 |
| logD: | 3.0199 |
| logSw: | -3.2107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.891 |
| InChI Key: | POEFYONQXPFPHE-UHFFFAOYSA-N |