N-(4-butylphenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
N-(4-butylphenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L112-0737 |
| Compound Name: | N-(4-butylphenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 482.65 |
| Molecular Formula: | C29 H30 N4 O S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1c2ccccc2nc(n1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8618 |
| logD: | 7.8575 |
| logSw: | -5.9211 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.575 |
| InChI Key: | OWOJDKZXBLEXQD-UHFFFAOYSA-N |