(+/-)-3-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-yl]-3-[4-(7-methoxy-quinolin-8-yl)-[1,4]diazepan-1-yl]-propionic acid methyl ester
Basic information
- Standard SMILES
COC(=O)CC(c1csc(N2CCC(O)CC2)n1)N1CCCN(c2c(OC)ccc3cccnc23)CC1- InChIKey
CCMCAXGWAKNTDG-UHFFFAOYSA-N- Molecular formula
- C27H35N5O4S
- Average molar mass
- 525.7 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 methyl ester
- IUPAC
- methyl 3-[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]-3-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]propanoate
Names & synonyms
SCHEMBL1063832CCMCAXGWAKNTDG-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 methyl ester
Database identifiers
- PubChem CID
- 59366202
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 742
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Related reactions
5 records
Compound notes
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