methyl 4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1759 |
| Compound Name: | methyl 4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 659.76 |
| Molecular Formula: | C28 H29 N5 O8 S3 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7333 |
| logD: | 0.7326 |
| logSw: | -2.4035 |
| Hydrogen bond acceptors count: | 19 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 172.443 |
| InChI Key: | LSVOFFFZRFWETP-UHFFFAOYSA-N |