2-(s)-(Benzothiazol-2-ylamino)-3-cyclohexyl-n-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide
Basic information
- Standard SMILES
O=C(NCCN1CCc2cc(F)ccc21)[C@H](CC1CCCCC1)Nc1nc2ccccc2s1- InChIKey
BAEUYTXTFBXCRA-QFIPXVFZSA-N- Molecular formula
- C26H31FN4OS
- Average molar mass
- 466.6 g/mol
Names & identifiers
- Preferred name
- 2-(s)-(Benzothiazol-2-ylamino)-3-cyclohexyl-n-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide
- IUPAC
- (2S)-2-(1,3-benzothiazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide
Names & synonyms
SCHEMBL5364180BAEUYTXTFBXCRA-QFIPXVFZSA-N2-(s)-(benzothiazol-2-ylamino)-3-cyclohexyl-n-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide
Database identifiers
- PubChem CID
- 11397166
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 648
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Related reactions
2 records
Compound notes
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