methyl 2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1318 |
| Compound Name: | methyl 2-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 595.7 |
| Molecular Formula: | C28 H29 N5 O6 S2 |
| Smiles: | CN(C)c1ccc(cc1)NC(CSC1=Nc2cc(ccc2C(N1CCc1ccc(cc1)S(N)(=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0067 |
| logD: | 2.9975 |
| logSw: | -3.7529 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.48 |
| InChI Key: | VTMASXBCVHZKKO-UHFFFAOYSA-N |