Basic information
- Standard SMILES
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1-n1nc(CN2C(=O)c3ccccc3C2=O)cc1CN1C(=O)c2ccccc2C1=O- InChIKey
MYYKFZPJOZVXMV-UHFFFAOYSA-N- Molecular formula
- C34H21N5O7
- Average molar mass
- 611.6 g/mol
- Monoisotopic mass
- 611.14409803
Names & identifiers
- Preferred name
- [2-[3,5-bis(Phthalimidomethyl)pyrazol-1-yl]-5-nitrophenyl]phenylmethanone
- IUPAC
- 2-[[1-(2-benzoyl-4-nitrophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]pyrazol-5-yl]methyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL11525335MYYKFZPJOZVXMV-UHFFFAOYSA-N[2-[3,5-bis(Phthalimidomethyl)pyrazol-1-yl]-5-nitrophenyl]phenylmethanone
Database identifiers
- PubChem CID
- 12377539
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
3 records
Compound notes
Loading…