Basic information
- CAS
64618-25-3- Standard SMILES
CNC(=O)OCc1c(COC(=O)NC)c(C)n(-c2ccc(Cl)cc2)c1C- InChIKey
OQZVQAADFRFCRU-UHFFFAOYSA-N- Molecular formula
- C18H22ClN3O4
- Average molar mass
- 379.8 g/mol
- Monoisotopic mass
- 379.1298839
Names & identifiers
- Preferred name
- [1-(4-chlorophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
- IUPAC
- [1-(4-chlorophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Names & synonyms
NSC27635764618-25-3[1-(4-chlorophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamateCHEMBL3276899DTXSID90313732NSC-276357[1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)1H-Pyrrole-3, 1-(4-chlorophenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester)1H-Pyrrole-3,4-dimethanol, 1-(4-chlorophenyl)-2,5-dimethyl-, bis(methylcarbamate) (ester)
Database identifiers
- CAS
64618-25-3- PubChem CID
- 321865
- DTXSID
DTXSID90313732- ChEMBL
CHEMBL3276899
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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