Basic information
- CAS
603947-31-5- Standard SMILES
CC(C)c1ccc2[nH]c3nc(SCC(=O)NC4CC4)nnc3c2c1- InChIKey
YMUHRYXPWKLXFU-UHFFFAOYSA-N- Molecular formula
- C17H19N5OS
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.13103142
Names & identifiers
- Preferred name
- N-cyclopropyl-2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
- IUPAC
- N-cyclopropyl-2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
- English name
- Acetamide, N-cyclopropyl-2-[[8-(1-methylethyl)-2H-1,2,4-triazino[5,6-b]indol-3-yl]thio]- (9CI)
- Molecular formula
- C17H19N5OS
- Molecular weight
- 341.43
Names & synonyms
603947-31-5N-cyclopropyl-2-[(8-propan-2-yl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamideASN 06016984MLS001220150CHEMBL1517636DTXSID001321009HMS2905F24AKOS000789145SMR000601503ST50312525SR-01000341888SR-01000341888-1
Show more names
Acetamide, N-cyclopropyl-2-[[8-(1-methylethyl)-5H-1,2,4-triazino[5,6-b]indol-3-yl]thio]-Acetamide, N-cyclopropyl-2-[[8-(1-methylethyl)-2H-1,2,4-triazino[5,6-b]indol-3-yl]thio]- (9CI)
N-Cyclopropyl-2-(6-isopropyl-9H-1,3,4,9-tetraaza-fluoren-2-ylsulfanyl)-acetamideN-CYCLOPROPYL-2-({8-ISOPROPYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL}SULFANYL)ACETAMIDEN-CYCLOPROPYL-2-{[8-(PROPAN-2-YL)-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL]SULFANYL}ACETAMIDE
Database identifiers
- CAS
603947-31-5- PubChem CID
- 5771026
- DTXSID
DTXSID001321009
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Experimental & physicochemical properties
Solubility1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 10.37 · 10.37±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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