N-butyl-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-butyl-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
N-butyl-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L112-0757 |
| Compound Name: | N-butyl-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C23 H26 N4 O S |
| Smiles: | CCCCNC(CSc1c2ccccc2nc(n1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2276 |
| logD: | 5.2233 |
| logSw: | -5.1656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.01 |
| InChI Key: | AJIYOODXZNLVTN-UHFFFAOYSA-N |