4-{2-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-{2-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide
4-{2-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K284-1369 |
| Compound Name: | 4-{2-[2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]ethyl}benzene-1-sulfonamide |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C23 H20 N4 O5 S2 |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0894 |
| logD: | 3.0887 |
| logSw: | -3.769 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.734 |
| InChI Key: | BJSJWQPKQAEIRF-UHFFFAOYSA-N |