methyl 3-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 3-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate
methyl 3-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L938-0579 |
| Compound Name: | methyl 3-(2-{[7-(3-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 436.46 |
| Molecular Formula: | C22 H17 F N4 O3 S |
| Smiles: | COC(c1cccc(c1)NC(CSc1c2c(c(c[nH]2)c2cccc(c2)F)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5243 |
| logD: | 4.5237 |
| logSw: | -4.3877 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.358 |
| InChI Key: | WRBCMDAHIDBOFR-UHFFFAOYSA-N |