N-[2-(benzylsulfanyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide
N-[2-(benzylsulfanyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C260-1772 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C27 H26 N4 O5 S |
| Smiles: | C(CN1C(c2ccccc2N(Cc2cccc(c2)[N+]([O-])=O)C1=O)=O)C(NCCSCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6736 |
| logD: | 3.6736 |
| logSw: | -4.107 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.94 |
| InChI Key: | KKHJLRMMXOOBRF-UHFFFAOYSA-N |