Basic information
- CAS
70889-19-9- Standard SMILES
CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(-c3ccccc3)cc2)n(C)c1C- InChIKey
ZSOIFICKFJJSNP-UHFFFAOYSA-N- Molecular formula
- C24H27N3O4
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.20015635
Names & identifiers
- Preferred name
- [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamate
- IUPAC
- [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamate
Names & synonyms
70889-19-9NSC301480[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamateCHEMBL1995711DTXSID10316265NSC-301480NCI60_0025301H-Pyrrole-3, 2-[1,1'-biphenyl]-4-yl-1,5-dimethyl-, bis(methylcarbamate) (ester)[2-([1,1'-Biphenyl]-4-yl)-1,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)
Database identifiers
- CAS
70889-19-9- PubChem CID
- 327239
- DTXSID
DTXSID10316265- ChEMBL
CHEMBL1995711
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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