4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4660 |
| Compound Name: | 4-({4-oxo-2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]quinazolin-3(4H)-yl}methyl)-N-(2-phenylethyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 661.84 |
| Molecular Formula: | C34 H39 N5 O5 S2 |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9108 |
| logD: | 2.9101 |
| logSw: | -3.8385 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 125.134 |
| InChI Key: | MPLOMWYBILTLPK-UHFFFAOYSA-N |