3-(4-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(4-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
3-(4-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G858-0460 |
| Compound Name: | 3-(4-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 504.54 |
| Molecular Formula: | C26 H21 F N4 O4 S |
| Smiles: | C1CCN(C1)C(c1ccc2C(N(C(=Nc2c1)SCc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7152 |
| logD: | 3.715 |
| logSw: | -4.067 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.555 |
| InChI Key: | PVEUZMWIULLBCL-UHFFFAOYSA-N |