methyl 4-[2-({[4-oxo-6-(propan-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({[4-oxo-6-(propan-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetamido]benzoate
methyl 4-[2-({[4-oxo-6-(propan-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | Y042-4251 |
| Compound Name: | methyl 4-[2-({[4-oxo-6-(propan-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C20 H21 N3 O4 S2 |
| Smiles: | CC(C)c1cc2C(NC(CSCC(Nc3ccc(cc3)C(=O)OC)=O)=Nc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8229 |
| logD: | 3.8224 |
| logSw: | -4.0497 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.126 |
| InChI Key: | AOGKIYIGZSMBRD-UHFFFAOYSA-N |