Ethyl 3-[[2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Basic information
- CAS
333412-70-7- Standard SMILES
CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)c1- InChIKey
CGGBNHDYZKYGGF-UHFFFAOYSA-N- Molecular formula
- C25H23N5O3S
- Average molar mass
- 473.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[[2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
- IUPAC
- ethyl 3-[[2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
- English name
- ethyl 3-[({[4-(4-methylphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
- Molecular formula
- C25H23N5O3S
- Molecular weight
- 473.54682
Names & synonyms
ethyl 3-[({[4-(4-methylphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoateAKOS000737607ethyl 3-[[2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoateST50335716AG-690/40754390ethyl 3-{2-[4-(4-methylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-ylthio]acetylamin o}benzoate
Database identifiers
- CAS
333412-70-7
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 675
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Compound notes
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