Basic information
- CAS
5442-93-3- Standard SMILES
CCOC(=O)c1c(C)[nH]c(C(c2ccccc2)c2[nH]c(C)c(C(=O)OCC)c2C)c1C- InChIKey
HZKOKTDZURSDGF-UHFFFAOYSA-N- Molecular formula
- C25H30N2O4
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.22055744
Names & identifiers
- Preferred name
- Diethyl 5,5'-(phenylmethanediyl)bis(2,4-dimethyl-1h-pyrrole-3-carboxylate)
- IUPAC
- ethyl 5-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenylmethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Names & synonyms
5442-93-3NSC13443diethyl 5,5'-(phenylmethanediyl)bis(2,4-dimethyl-1h-pyrrole-3-carboxylate)DTXSID90279627NSC-13443Diethyl 5,5'-(phenylmethylene)bis(2,4-dimethyl-1H-pyrrole-3-carboxylate)1H-Pyrrole-3-carboxylic acid, 5,5'-(phenylmethylene)bis[2,4-dimethyl-, diethyl esterethyl 5-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-phenyl-methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Database identifiers
- CAS
5442-93-3- PubChem CID
- 224723
- DTXSID
DTXSID90279627
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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