methyl 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
methyl 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K913-0628 |
| Compound Name: | methyl 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | Cc1c2c(ncnc2sc1C(Nc1ccccc1C(=O)OC)=O)N1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 5.1512 |
| logD: | 4.4242 |
| logSw: | -5.1616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.768 |
| InChI Key: | QLKYNLZICRPRNF-UHFFFAOYSA-N |