Basic information
- CAS
603947-82-6- Standard SMILES
CCOc1ccc2c(c1)c1nnc(SCC(=O)NC3CC3)nc1n2C- InChIKey
LNZSSBZCSFDTEH-UHFFFAOYSA-N- Molecular formula
- C17H19N5O2S
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- N-Cyclopropyl-2-(6-ethoxy-9-methyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamide
- IUPAC
- N-cyclopropyl-2-[(8-ethoxy-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
- English name
- Acetamide, N-cyclopropyl-2-[(8-ethoxy-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]- (9CI)
- Molecular formula
- C17H19N5O2S
- Molecular weight
- 357.43
Names & synonyms
603947-82-6N-Cyclopropyl-2-(6-ethoxy-9-methyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamideMLS001217837CHEMBL1601442HMS2906M19AKOS000789787SMR000601507SR-01000344446SR-01000344446-1Acetamide, N-cyclopropyl-2-[(8-ethoxy-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]-Acetamide, N-cyclopropyl-2-[(8-ethoxy-5-methyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)thio]- (9CI)
Database identifiers
- CAS
603947-82-6- ChEMBL
CHEMBL1601442
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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