methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2024 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 610.66 |
| Molecular Formula: | C28 H26 N4 O8 S2 |
| Smiles: | COC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1448 |
| logD: | 2.1441 |
| logSw: | -3.0624 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 138.976 |
| InChI Key: | JDRFMSZIKCIPET-UHFFFAOYSA-N |