methyl 2-{2-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K292-0566 |
| Compound Name: | methyl 2-{2-[(3-benzyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C23 H19 N3 O4 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1Cc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1113 |
| logD: | 4.103 |
| logSw: | -4.2976 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.415 |
| InChI Key: | JRVXNKFYUQNHTI-UHFFFAOYSA-N |