methyl 4-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L112-0693 |
| Compound Name: | methyl 4-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1c2ccccc2nc(n1)N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9834 |
| logD: | 5.979 |
| logSw: | -5.7587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.749 |
| InChI Key: | DYCCEKYPHRUZFV-UHFFFAOYSA-N |