methyl 4-chloro-2-(2-(3-(methoxycarbonyl)phenyl)acetamido)-5-(1-methyl-1H-indol-5-yl)benzoate
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Basic information
- Standard SMILES
COC(=O)c1cccc(CC(=O)Nc2cc(Cl)c(-c3ccc4c(ccn4C)c3)cc2C(=O)OC)c1- InChIKey
MRUMTZIOQMSKPY-UHFFFAOYSA-N- Molecular formula
- C27H23ClN2O5
- Average molar mass
- 490.9 g/mol
- Monoisotopic mass
- 490.1295495
Names & identifiers
- Preferred name
- methyl 4-chloro-2-(2-(3-(methoxycarbonyl)phenyl)acetamido)-5-(1-methyl-1H-indol-5-yl)benzoate
- IUPAC
- methyl 4-chloro-2-[[2-(3-methoxycarbonylphenyl)acetyl]amino]-5-(1-methylindol-5-yl)benzoate
Names & synonyms
SCHEMBL12492220MRUMTZIOQMSKPY-UHFFFAOYSA-Nmethyl 4-chloro-2-(2-(3-(methoxycarbonyl)phenyl)acetamido)-5-(1-methyl-1H-indol-5-yl)benzoate
Database identifiers
- PubChem CID
- 68290992
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 779
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Related reactions
1 records
Compound notes
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