methyl 4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0431 |
| Compound Name: | methyl 4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 538.6 |
| Molecular Formula: | C25 H22 N4 O6 S2 |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8635 |
| logD: | 1.8347 |
| logSw: | -2.7399 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 122.738 |
| InChI Key: | BBWRSYLQZOGVEV-UHFFFAOYSA-N |