N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | C066-2380 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 608.74 |
| Molecular Formula: | C28 H32 N8 O4 S2 |
| Smiles: | Cc1c(c2C(N(CC(NCCN3CCc4ccccc4C3)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6322 |
| logD: | 1.3212 |
| logSw: | -2.5451 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.532 |
| InChI Key: | JEQQTZPXVMRGGY-UHFFFAOYSA-N |