methyl 2-(2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K292-2013 |
| Compound Name: | methyl 2-(2-{[4-oxo-3-(4-oxo-4-{[2-(4-sulfamoylphenyl)ethyl]amino}butyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 643.76 |
| Molecular Formula: | C28 H29 N5 O7 S3 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1CCCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.136 |
| logD: | 1.1277 |
| logSw: | -2.3201 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 145.309 |
| InChI Key: | CYBWYMOOZFFHBR-UHFFFAOYSA-N |