Basic information
- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4cc(C)cc(C)c4)CC3)nc21- InChIKey
AFNXXFAUQZBFJV-UHFFFAOYSA-N- Molecular formula
- C23H26N6O3S
- Average molar mass
- 466.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-{[(3,5-Dimethylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid
- IUPAC
- 2-[4-[(3,5-dimethylphenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Names & synonyms
CHEMBL5696522-(4-{[(3,5-Dimethylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic AcidSCHEMBL1813327AFNXXFAUQZBFJV-UHFFFAOYSA-NBDBM50300221
Database identifiers
- PubChem CID
- 45484172
- ChEMBL
CHEMBL569652
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 789
Related reactions
1 records
Compound notes
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