methyl 2-[2-(3-benzyl-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(3-benzyl-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl)acetamido]benzoate
methyl 2-[2-(3-benzyl-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F462-0022 |
| Compound Name: | methyl 2-[2-(3-benzyl-2,4-dioxo-3,4-dihydropteridin-1(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C23 H19 N5 O5 |
| Smiles: | COC(c1ccccc1NC(CN1C(N(Cc2ccccc2)C(c2c1nccn2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4588 |
| logD: | 2.4478 |
| logSw: | -3.0337 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.132 |
| InChI Key: | ZBLUXDQASZUIJC-UHFFFAOYSA-N |