9-[(4-Chlorophenyl)thio]-8-cyclopropyl-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-acetic acid
Basic information
- CAS
476619-35-9- Standard SMILES
O=C(O)CC1CCn2c1c(Sc1ccc(Cl)cc1)c1c(C3CC3)cc(F)cc12- InChIKey
MZGKUPAFPZOGKG-UHFFFAOYSA-N- Molecular formula
- C22H19ClFNO2S
- Average molar mass
- 415.9 g/mol
- Monoisotopic mass
- 415.0809059
Names & identifiers
- Preferred name
- 9-[(4-Chlorophenyl)thio]-8-cyclopropyl-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-acetic acid
- IUPAC
- 2-[4-(4-chlorophenyl)sulfanyl-5-cyclopropyl-7-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
Names & synonyms
CHEMBL411847DTXSID801115644BDBM50376307476619-35-99-[(4-Chlorophenyl)thio]-8-cyclopropyl-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-1-acetic acid{9-[(4-Chlorophenyl)sulfanyl]-8-cyclopropyl-6-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl}acetic acid
Database identifiers
- CAS
476619-35-9- PubChem CID
- 10136631
- DTXSID
DTXSID801115644- ChEMBL
CHEMBL411847
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 597
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Compound notes
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