methyl 2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2122 |
| Compound Name: | methyl 2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 640.73 |
| Molecular Formula: | C30 H32 N4 O8 S2 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCC(NCCc1ccc(c(c1)OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8898 |
| logD: | 1.8891 |
| logSw: | -2.8092 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 137.1 |
| InChI Key: | IKPPRTVFFWUQMI-UHFFFAOYSA-N |