dimethyl 4-[1-[4-[N'-(2-methylphenyl)ureido]phenylacetyl]-2-pyrrolidinylmethoxy]isophthalate
Basic information
- Standard SMILES
COC(=O)c1ccc(OCC2CCCN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)c(C(=O)OC)c1- InChIKey
MVMDRELZUNVGTP-UHFFFAOYSA-N- Molecular formula
- C31H33N3O7
- Average molar mass
- 559.6 g/mol
Names & identifiers
- Preferred name
- dimethyl 4-[1-[4-[N'-(2-methylphenyl)ureido]phenylacetyl]-2-pyrrolidinylmethoxy]isophthalate
- IUPAC
- dimethyl 4-[[1-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidin-2-yl]methoxy]benzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL5152924MVMDRELZUNVGTP-UHFFFAOYSA-Ndimethyl 4-[1-[4-[N'-(2-methylphenyl)ureido]phenylacetyl]-2-pyrrolidinylmethoxy]isophthalate
Database identifiers
- PubChem CID
- 69333346
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 906
Related reactions
4 records
Compound notes
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