N-(3-chlorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L112-0669 |
| Compound Name: | N-(3-chlorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 460.98 |
| Molecular Formula: | C25 H21 Cl N4 O S |
| Smiles: | C1CN(Cc2ccccc12)c1nc(c2ccccc2n1)SCC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6462 |
| logD: | 6.6417 |
| logSw: | -6.4639 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.575 |
| InChI Key: | BWLXMWUDEHLDEX-UHFFFAOYSA-N |