[1-(4-bromophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Basic information
- CAS
64618-26-4- Standard SMILES
CNC(=O)OCc1c(COC(=O)NC)c(C)n(-c2ccc(Br)cc2)c1C- InChIKey
NOXVZSNBOAHZRU-UHFFFAOYSA-N- Molecular formula
- C18H22BrN3O4
- Average molar mass
- 424.3 g/mol
- Monoisotopic mass
- 423.07937
Names & identifiers
- Preferred name
- [1-(4-bromophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
- IUPAC
- [1-(4-bromophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Names & synonyms
64618-26-4NSC276362[1-(4-bromophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamateCHEMBL1967157SCHEMBL31401979DTXSID90313737NSC-276362NCI60_002248[1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)1H-Pyrrole-3, 1-(4-bromophenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester)
Database identifiers
- CAS
64618-26-4- PubChem CID
- 321870
- DTXSID
DTXSID90313737- ChEMBL
CHEMBL1967157
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…