methyl 2-{2-[(9-methoxy-5H-[1]benzopyrano[4,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(9-methoxy-5H-[1]benzopyrano[4,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(9-methoxy-5H-[1]benzopyrano[4,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | M709-1115 |
| Compound Name: | methyl 2-{2-[(9-methoxy-5H-[1]benzopyrano[4,3-d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C22 H19 N3 O5 S |
| Smiles: | COC(c1ccccc1NC(CSc1ncc2COc3ccc(cc3c2n1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3572 |
| logD: | 3.3442 |
| logSw: | -3.5796 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.91 |
| InChI Key: | OREJSAIPFTWOFU-UHFFFAOYSA-N |