N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
Basic information
- CAS
5952-45-4- Standard SMILES
CCCCN(Cc1cccn1Cc1ccc(Br)cc1)C(=O)CN(CCOC)C(=O)Nc1ccc(OCC)cc1- InChIKey
BKMXONQRNRBVHD-UHFFFAOYSA-N- Molecular formula
- C30H39BrN4O4
- Average molar mass
- 599.6 g/mol
- Monoisotopic mass
- 598.21547
Names & identifiers
- Preferred name
- N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
- IUPAC
- N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
Names & synonyms
5952-45-4N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-butyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]acetamideDTXSID60411077N-({1-[(4-Bromophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-butyl-N~2~-[(4-ethoxyphenyl)carbamoyl]-N~2~-(2-methoxyethyl)glycinamide
Database identifiers
- CAS
5952-45-4- PubChem CID
- 5221513
- DTXSID
DTXSID60411077
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 713
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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