Basic information
- Standard SMILES
CCOC(=O)c1c(C)[nH]c(C=O)c1CCCN1CCN(C)CC1- InChIKey
XWTXOZAMDCGFQZ-UHFFFAOYSA-N- Molecular formula
- C17H27N3O3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.20524173
Names & identifiers
- Preferred name
- 5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylate
Names & synonyms
SCHEMBL5401547XWTXOZAMDCGFQZ-UHFFFAOYSA-N5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1 H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methyl-piperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)-propyl]-1H-pyrrole-3-carboxylic acid ethyl ester5-formyl-2-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 58779587
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Related reactions
24 records
Compound notes
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