| CAS Number | 1227946-51-1 |
| Catalog Number | AG00A1FT |
| Chemical Name | HIF Phd Inhibitor 4 |
| IUPAC Name | N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxypyridin-2-yl)-2,4-dioxo-1H-thieno[3,2-d]pyrimidine-6-carboxamide |
| InChI | InChI=1S/C21H17ClN4O5S/c1-30-14-7-8-16(25-19(14)31-2)26-20(28)17-13(24-21(26)29)9-15(32-17)18(27)23-10-11-3-5-12(22)6-4-11/h3-9H,10H2,1-2H3,(H,23,27)(H,24,29) |
| InChI Key | AUGOOTCGUHUYHF-UHFFFAOYSA-N |
| MDL Number | MFCD22683865 |
| Molecular Formula | C21H17ClN4O5S |
| Molecular Weight | 472.9015 |
| SMILES | COC1=C(N=C(C=C1)N2C(=O)C3=C(C=C(S3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=O)OC |
| Synonyms | HIF Phd Inhibitor 4,
SCHEMBL13366536,
ZINC95642073,
NCGC00386666-01,
1227946-51-1,
N-(4-chlorobenzyl)-3-(5,6-dimethoxypyridin-2-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[3,2-d]pyrimidine-6-carboxamide,
N-(4-Chlorobenzyl)-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1,
|
| Complexity | 722 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 472.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 472.9g/mol |
| Monoisotopic Mass | 472.061g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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