methyl 2-[(cyanomethyl)sulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-[(cyanomethyl)sulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-[(cyanomethyl)sulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1311 |
| Compound Name: | methyl 2-[(cyanomethyl)sulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C20 H18 N4 O5 S2 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5052 |
| logD: | 1.5045 |
| logSw: | -2.3891 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.29 |
| InChI Key: | HFVIVNKVUKFLON-UHFFFAOYSA-N |