N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L112-0729 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | C1CN(Cc2ccccc12)c1nc(c2ccccc2n1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8652 |
| logD: | 4.8608 |
| logSw: | -4.9967 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.398 |
| InChI Key: | NVDPPHGQDHJALK-UHFFFAOYSA-N |