methyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1313 |
| Compound Name: | methyl 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 554.6 |
| Molecular Formula: | C25 H22 N4 O7 S2 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3809 |
| logD: | 3.3802 |
| logSw: | -3.9606 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.908 |
| InChI Key: | HHDAQCLUGQCSEG-UHFFFAOYSA-N |