Basic information
- CAS
70889-27-9- Standard SMILES
CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(Sc3ccccc3)cc2)n(C)c1C- InChIKey
HYPRMZRUAKHKPP-UHFFFAOYSA-N- Molecular formula
- C24H27N3O4S
- Average molar mass
- 453.6 g/mol
- Monoisotopic mass
- 453.17222752
Names & identifiers
- Preferred name
- [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfanylphenyl)pyrrol-3-yl]methyl N-methylcarbamate
- IUPAC
- [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfanylphenyl)pyrrol-3-yl]methyl N-methylcarbamate
Names & synonyms
70889-27-9NSC301484[1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylsulfanylphenyl)pyrrol-3-yl]methyl N-methylcarbamateCHEMBL3248032DTXSID50316269NSC-3014841H-Pyrrole-3, 1,2-dimethyl-5-[4-(phenylthio)phenyl]-, bis(methylcarbamate) (ester){1,2-Dimethyl-5-[4-(phenylsulfanyl)phenyl]-1H-pyrrole-3,4-diyl}bis(methylene) bis(methylcarbamate)
Database identifiers
- CAS
70889-27-9- PubChem CID
- 327243
- DTXSID
DTXSID50316269- ChEMBL
CHEMBL3248032
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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