Basic information
- Standard SMILES
CC(C)Sc1ncccc1COc1ccc(C2CC2C(=O)O)c(Cl)c1- InChIKey
RKIOPDRJBXBAKY-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO3S
- Average molar mass
- 377.9 g/mol
Names & identifiers
- Preferred name
- 2-[2-Chloro-4-(2-isopropylsulfanyl-pyridin-3-ylmethoxy)-phenyl]-cyclopropane carboxylic acid
- IUPAC
- 2-[2-chloro-4-[(2-propan-2-ylsulfanyl-3-pyridinyl)methoxy]phenyl]cyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL15669079RKIOPDRJBXBAKY-UHFFFAOYSA-N2-[2-chloro-4-(2-isopropylsulfanyl-pyridin-3-ylmethoxy)-phenyl]-cyclopropane carboxylic acid
Database identifiers
- PubChem CID
- 74222885
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Related reactions
1 records
Compound notes
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