4-(8-{4-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-ylmethyl]-[1,4]diazepan-1-yl}-6-methyl-quinolin-7-yloxy)-butyric acid methyl ester
Basic information
- Standard SMILES
COC(=O)CCCOc1c(C)cc2cccnc2c1N1CCCN(Cc2csc(N3CCC(O)CC3)n2)CC1- InChIKey
ROMIDWZTVWZMAJ-UHFFFAOYSA-N- Molecular formula
- C29H39N5O4S
- Average molar mass
- 553.7 g/mol
Names & identifiers
- Preferred name
- 4-(8-{4-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-ylmethyl]-[1,4]diazepan-1-yl}-6-methyl-quinolin-7-yloxy)-butyric acid methyl ester
- IUPAC
- methyl 4-[8-[4-[[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-6-methylquinolin-7-yl]oxybutanoate
Names & synonyms
SCHEMBL1062931ROMIDWZTVWZMAJ-UHFFFAOYSA-N4-(8-{4-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-ylmethyl]-[1,4]diazepan-1-yl}-6-methyl-quinolin-7-yloxy)-butyric acid methyl ester
Database identifiers
- PubChem CID
- 59366168
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 772
Related reactions
6 records
Compound notes
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