ethyl 3-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L112-0694 |
| Compound Name: | ethyl 3-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1c2ccccc2nc(n1)N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6746 |
| logD: | 6.6703 |
| logSw: | -5.8995 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.329 |
| InChI Key: | BFVAVFDROQBKOF-UHFFFAOYSA-N |