Basic information
- CAS
606111-32-4- Standard SMILES
CC(C)NC(=O)Cn1c(SCC(=O)N(C(C)C)C(C)C)nc2ccccc21- InChIKey
BGFDIXIYCFZDSH-UHFFFAOYSA-N- Molecular formula
- C20H30N4O2S
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- 2-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
- IUPAC
- 2-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
- English name
- 1H-Benzimidazole-1-acetamide,2-[[2-[bis(1-methylethyl)amino]-2-oxoethyl]thio]-N-(1-methylethyl)-(9CI)
- Molecular formula
- C20H30N4O2S
- Molecular weight
- 390.54
Names & synonyms
AKOS000685810SR-01000343103SR-01000343103-12-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide1H-Benzimidazole-1-acetamide, 2-[[2-[bis(1-methylethyl)amino]-2-oxoethyl]thio]-N-(1-methylethyl)-1H-Benzimidazole-1-acetamide,2-[[2-[bis(1-methylethyl)amino]-2-oxoethyl]thio]-N-(1-methylethyl)-(9CI)
Database identifiers
- CAS
606111-32-4
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 14.9 · 14.90±0.46(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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