N-{2-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}acetamide
Chemical Structure Depiction of
N-{2-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}acetamide
N-{2-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}acetamide
Compound characteristics
| Compound ID: | K284-2259 |
| Compound Name: | N-{2-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}acetamide |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | CC(NCCN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8798 |
| logD: | 1.8798 |
| logSw: | -2.8531 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.828 |
| InChI Key: | NUSJIXAWKQLMOW-UHFFFAOYSA-N |