methyl 4-oxo-3-[(4-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-[(4-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-[(4-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3680 |
| Compound Name: | methyl 4-oxo-3-[(4-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}phenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 552.63 |
| Molecular Formula: | C26 H24 N4 O6 S2 |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(NCCc3ccc(cc3)S(N)(=O)=O)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3406 |
| logD: | 2.3392 |
| logSw: | -3.1192 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 123.35 |
| InChI Key: | BTCRVWGHCNKTOM-UHFFFAOYSA-N |