methyl 4-oxo-3-(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0116 |
| Compound Name: | methyl 4-oxo-3-(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C20 H20 N4 O6 S2 |
| Smiles: | COC(c1ccc2C(N(CC(NCCc3ccc(cc3)S(N)(=O)=O)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6684 |
| logD: | 0.6662 |
| logSw: | -2.4431 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 123.408 |
| InChI Key: | LYHSADKTCHDGIR-UHFFFAOYSA-N |