Basic information
- Standard SMILES
Cc1nc(C)c(C(=O)N(C)c2ccc(Cc3nc4c([nH]3)c(=O)n(Cc3ccccc3F)c(=O)n4CC3CC3)cc2)s1- InChIKey
PQRPKIFOILLOIK-UHFFFAOYSA-N- Molecular formula
- C30H29FN6O3S
- Average molar mass
- 572.7 g/mol
- Monoisotopic mass
- 572.20058814
Names & identifiers
- Preferred name
- 2,4-dimethyl-thiazole-5-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amide
- IUPAC
- N-[4-[[3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
Names & synonyms
SCHEMBL6096606PQRPKIFOILLOIK-UHFFFAOYSA-N2,4-dimethyl-thiazole-5-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amide
Database identifiers
- PubChem CID
- 69663103
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 993
Related reactions
2 records
Compound notes
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