methyl 4-{2-[(7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | L938-0032 |
| Compound Name: | methyl 4-{2-[(7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C22 H18 N4 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1c2c(c(c[nH]2)c2ccccc2)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1777 |
| logD: | 4.1756 |
| logSw: | -4.3311 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.358 |
| InChI Key: | FLSGHRLATAFAKU-UHFFFAOYSA-N |