(+/-)-3-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-yl]-3-[4-(7-methoxy-quinolin-8-yl)-[1,4]diazepan-1-yl]-propionic acid
Basic information
- Standard SMILES
COc1ccc2cccnc2c1N1CCCN(C(CC(=O)O)c2csc(N3CCC(O)CC3)n2)CC1- InChIKey
LQQLYKRKECJRAH-UHFFFAOYSA-N- Molecular formula
- C26H33N5O4S
- Average molar mass
- 511.6 g/mol
Names & identifiers
- Preferred name
- (+/-)-3-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-yl]-3-[4-(7-methoxy-quinolin-8-yl)-[1,4]diazepan-1-yl]-propionic acid
- IUPAC
- 3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propanoic acid
Names & synonyms
SCHEMBL1065016LQQLYKRKECJRAH-UHFFFAOYSA-N(+/-)-3-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-yl]-3-[4-(7-methoxy-quinolin-8-yl)-[1,4]diazepan-1-yl]-propionic acid
Database identifiers
- PubChem CID
- 59366189
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 726
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Related reactions
6 records
Compound notes
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