Basic information
- Standard SMILES
CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CNC(=O)c2cc3ccccc3n2CC(=O)O)s1- InChIKey
KFLILRCLTASZTM-UHFFFAOYSA-N- Molecular formula
- C28H24ClN5O4S
- Average molar mass
- 562 g/mol
- Monoisotopic mass
- 561.1237531
Names & identifiers
- Preferred name
- 2-(4-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethylcarbamoyl)indole-1-acetic acid
- IUPAC
- 2-[2-[[4-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-5-methyl-1,2,4-triazol-3-yl]methylcarbamoyl]indol-1-yl]acetic acid
Names & synonyms
SCHEMBL8689124KFLILRCLTASZTM-UHFFFAOYSA-N2-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-ylmethylcarbamoyl)indole-1-acetic acid
Database identifiers
- PubChem CID
- 19085197
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 913
Related reactions
2 records
Compound notes
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