Basic information
- CAS
72572-63-5- Standard SMILES
CNC(=O)OCc1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccc(OC)cc2)c1COC(=O)NC- InChIKey
WALXXZPBFHELRT-UHFFFAOYSA-N- Molecular formula
- C29H29N3O5
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.21072103
Names & identifiers
- Preferred name
- [1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-yl]methyl N-methylcarbamate
- IUPAC
- [1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-yl]methyl N-methylcarbamate
- English name
- 1H-Pyrrole-2,3-dimethanol, 1- (4-methoxyphenyl)-4,5-diphenyl-, bis(met hylcarbamate) (ester)
- Molecular formula
- C29H29N3O5
- Molecular weight
- 499.56
Names & synonyms
72572-63-5NSC301488[1-(4-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-yl]methyl N-methylcarbamateCHEMBL170291DTXSID20316271NSC-301488[1-(4-Methoxyphenyl)-4,5-diphenyl-1H-pyrrole-2,3-diyl]bis(methylene) bis(methylcarbamate)1H-Pyrrole-2, 1-(4-methoxyphenyl)-4,5-diphenyl-, bis(methylcarbamate) (ester)1H-Pyrrole-2,3-dimethanol, 1- (4-methoxyphenyl)-4,5-diphenyl-, bis(met hylcarbamate) (ester)1H-Pyrrole-2,3-dimethanol, 1-(4-methoxyphenyl)-4,5-diphenyl-, bis(methylcarbamate) (ester) (9CI)
Database identifiers
- CAS
72572-63-5- PubChem CID
- 327245
- DTXSID
DTXSID20316271- ChEMBL
CHEMBL170291
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 716
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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