methyl 3-amino-4-[N-[1-[4-[N'-(2-fluorophenyl)ureido]-3-methoxy-phenylacetyl]-2-pyrrolidinylmethyl]-N-methylamino]benzoate
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Basic information
- Standard SMILES
COC(=O)c1ccc(N(C)CC2CCCN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3F)c(OC)c2)c(N)c1- InChIKey
ZQDSDJBPYCHOID-UHFFFAOYSA-N- Molecular formula
- C30H34FN5O5
- Average molar mass
- 563.6 g/mol
Names & identifiers
- Preferred name
- methyl 3-amino-4-[N-[1-[4-[N'-(2-fluorophenyl)ureido]-3-methoxy-phenylacetyl]-2-pyrrolidinylmethyl]-N-methylamino]benzoate
- IUPAC
- methyl 3-amino-4-[[1-[2-[4-[(2-fluorophenyl)carbamoylamino]-3-methoxyphenyl]acetyl]pyrrolidin-2-yl]methyl-methylamino]benzoate
Names & synonyms
SCHEMBL5152912ZQDSDJBPYCHOID-UHFFFAOYSA-Nmethyl 3-amino-4-[N-[1-[4-[N'-(2-fluorophenyl)ureido]-3-methoxy-phenylacetyl]-2-pyrrolidinylmethyl]-N-methylamino]benzoatemethyl 3-amino-4-[N-[1-[4[-N'-(2-fluorophenyl)ureido]-3-methoxy-phenylacetyl]-2-pyrrolidinylmethyl]-N-methylamino]benzoatemethyl 3amino-4-[N-[1-[4-[N'-(2-fluorophenyl)ureido]-3-methoxy-phenylacetyl]-2-pyrrolidinylmethyl]-N-methylamino]benzoate
Database identifiers
- PubChem CID
- 69333340
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 895
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Related reactions
3 records
Compound notes
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