N-[2-(benzylsulfanyl)ethyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide
N-[2-(benzylsulfanyl)ethyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C260-1778 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | C(CN1C(c2ccccc2N(Cc2ccccc2C#N)C1=O)=O)C(NCCSCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4767 |
| logD: | 3.4767 |
| logSw: | -3.7434 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.614 |
| InChI Key: | OVHVAANZQSPOLR-UHFFFAOYSA-N |