N-(5-Chloro-2-pyridinyl)-2-((5-methyl-5H-1,2,4-triazino(5,6-b)indol-3-yl)thio)butanamide
Basic information
- CAS
312531-89-8- Standard SMILES
CCC(Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1ccc(Cl)cn1- InChIKey
KCDMYJYWSJKLDJ-UHFFFAOYSA-N- Molecular formula
- C19H17ClN6OS
- Average molar mass
- 412.9 g/mol
- Monoisotopic mass
- 412.0873081
Names & identifiers
- Preferred name
- N-(5-Chloro-2-pyridinyl)-2-((5-methyl-5H-1,2,4-triazino(5,6-b)indol-3-yl)thio)butanamide
- IUPAC
- N-(5-chloro-2-pyridinyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Names & synonyms
312531-89-8N-(5-Chloro-2-pyridinyl)-2-[(5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]butanamideN-(5-Chloro-2-pyridinyl)-2-((5-methyl-5H-1,2,4-triazino(5,6-b)indol-3-yl)thio)butanamideRefChem:362354N-(5-chloropyridin-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamideChemDiv2_005002Oprea1_545011Oprea1_678246DTXSID001124205HMS1383D08STK126181AKOS005401831
Show more names
WAY-298546IDI1_003717SR-01000524554SR-01000524554-1
Database identifiers
- CAS
312531-89-8- PubChem CID
- 3138151
- DTXSID
DTXSID001124205
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
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Related reactions
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Compound notes
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