Basic information
- Standard SMILES
COc1cc(C(=O)OC(=O)N(c2ccccc2)c2ccccc2)ccc1Cn1ccc2ccc(NC(=O)CC3CCCC3)cc21- InChIKey
HDBPSNAIRJZSOW-UHFFFAOYSA-N- Molecular formula
- C37H35N3O5
- Average molar mass
- 601.7 g/mol
- Monoisotopic mass
- 601.25767123
Names & identifiers
- Preferred name
- 4-[6-(2-cyclopentylacetamido)indol-1-ylmethyl]-3-methoxybenzoic N,N-diphenylcarbamic anhydride
- IUPAC
- diphenylcarbamoyl 4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-3-methoxybenzoate
Names & synonyms
SCHEMBL8998132HDBPSNAIRJZSOW-UHFFFAOYSA-N4-[6-(2-cyclopentylacetamido)indol-1-ylmethyl]-3-methoxybenzoic N,N-diphenylcarbamic anhydride
Database identifiers
- PubChem CID
- 88397231
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 971
Related reactions
1 records
Compound notes
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