methyl 2-{[(3-bromophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(3-bromophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(3-bromophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1306 |
| Compound Name: | methyl 2-{[(3-bromophenyl)methyl]sulfanyl}-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 588.5 |
| Molecular Formula: | C25 H22 Br N3 O5 S2 |
| Smiles: | COC(c1ccc2C(N(CCc3ccc(cc3)S(N)(=O)=O)C(=Nc2c1)SCc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2297 |
| logD: | 4.229 |
| logSw: | -4.3549 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.526 |
| InChI Key: | HMJCSROZPOLBHO-UHFFFAOYSA-N |