3-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0446 |
| Compound Name: | 3-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | C(CCN1C(c2c(ccs2)NC1=O)=O)CC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8413 |
| logD: | 2.8408 |
| logSw: | -3.2291 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.531 |
| InChI Key: | XOUWFQLAUSKCDA-UHFFFAOYSA-N |