Basic information
- Standard SMILES
COc1ccc(Nc2nc(-c3ccc(C(=O)NCCc4ccncc4)cc3)nc3scnc23)cc1OC- InChIKey
IECSPWATANVXIT-UHFFFAOYSA-N- Molecular formula
- C27H24N6O3S
- Average molar mass
- 512.6 g/mol
- Monoisotopic mass
- 512.16305982
Names & identifiers
- Preferred name
- 4-(7-(3,4-dimethoxyphenylamino)thiazolo[5,4-d]pyrimidin-5-yl)-N-(2-(pyridin-4-yl)ethyl)benzamide
- IUPAC
- 4-[7-(3,4-dimethoxyanilino)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-N-(2-pyridin-4-ylethyl)benzamide
Names & synonyms
SCHEMBL12802837IECSPWATANVXIT-UHFFFAOYSA-N4-(7-(3,4-dimethoxyphenylamino)thiazolo[5,4-d]pyrimidin-5-yl)-N-(2-(pyridin-4-yl)ethyl)benzamide
Database identifiers
- PubChem CID
- 66549138
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 720
Related reactions
1 records
Compound notes
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