methyl 2-{2-[(4-oxo-3-{4-oxo-4-[(2-phenylethyl)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-phenylethyl)amino]butyl}-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(4-oxo-3-{4-oxo-4-[(2-phenylethyl)amino]butyl}-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K292-1308 |
| Compound Name: | methyl 2-{2-[(4-oxo-3-{4-oxo-4-[(2-phenylethyl)amino]butyl}-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 564.68 |
| Molecular Formula: | C28 H28 N4 O5 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1CCCC(NCCc1ccccc1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7754 |
| logD: | 2.7671 |
| logSw: | -3.5423 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.706 |
| InChI Key: | RTQWKZOCGJMOJQ-UHFFFAOYSA-N |