Basic information
- Standard SMILES
COC(=O)COc1ccc(CC(C)NCC(O)c2sc(C)nc2C)cc1- InChIKey
NCVIPOBRKDOLHF-UHFFFAOYSA-N- Molecular formula
- C19H26N2O4S
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.16132849
Names & identifiers
- Preferred name
- N-[2-(4-Carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2,4-dimethyl-thiazol-5-yl)ethanamine
- IUPAC
- methyl 2-[4-[2-[[2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate
Names & synonyms
SCHEMBL8878844NCVIPOBRKDOLHF-UHFFFAOYSA-NN-[2-(4-Carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2,4-dimethyl-thiazol-5-yl)ethanamine
Database identifiers
- PubChem CID
- 19974107
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 432
Related reactions
4 records
Compound notes
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