4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide
4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | K284-3503 |
| Compound Name: | 4-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C27 H26 N4 O4 S |
| Smiles: | C(CC(NCCc1ccccc1)=O)CN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2939 |
| logD: | 3.2939 |
| logSw: | -3.8185 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.444 |
| InChI Key: | RGKSPEOXSVMWKP-UHFFFAOYSA-N |