methyl 3-(2-{[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 3-(2-{[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate
methyl 3-(2-{[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L938-0477 |
| Compound Name: | methyl 3-(2-{[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | COC(c1cccc(c1)NC(CSc1c2c(c(c[nH]2)c2ccc(cc2)OC)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4458 |
| logD: | 4.4437 |
| logSw: | -4.3546 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.902 |
| InChI Key: | UAADDECKNAVMOH-UHFFFAOYSA-N |