ethyl [4-chloro({[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)anilino]acetate
Basic information
- CAS
667884-18-6- Standard SMILES
CCOC(=O)CN(C(=O)CSc1nnc(-c2ccncc2)n1C)c1ccc(Cl)cc1- InChIKey
AUKIGBKVPHVUSD-UHFFFAOYSA-N- Molecular formula
- C20H20ClN5O3S
- Average molar mass
- 445.9 g/mol
Names & identifiers
- Preferred name
- ethyl [4-chloro({[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)anilino]acetate
- IUPAC
- ethyl 2-(4-chloro-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)acetate
- English name
- ethyl [4-chloro({[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)anilino]acetate
- Molecular formula
- C20H20ClN5O3S
- Molecular weight
- 445.9225
Names & synonyms
ethyl [4-chloro({[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)anilino]acetateAO-476/42169296ethyl 2-(4-chloro-N-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)acetate
Database identifiers
- CAS
667884-18-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 573
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Related reactions
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Compound notes
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