Basic information
- Standard SMILES
CCOC(=O)C1=C(CN2CCOC[C@H]2C(=O)N(C)OC)NC(c2nccs2)=NC1c1ccc(F)cc1Br- InChIKey
NCVLPGCRWDGVBA-LROBGIAVSA-N- Molecular formula
- C24H27BrFN5O5S
- Average molar mass
- 596.5 g/mol
- Monoisotopic mass
- 595.09003
Names & identifiers
- Preferred name
- Ethyl 4-(2-bromo-4-fluorophenyl)-6-(((S)-3-(methoxy(methyl)carbamoyl)morpholino)methyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
- IUPAC
- ethyl 4-(2-bromo-4-fluorophenyl)-6-[[(3S)-3-[methoxy(methyl)carbamoyl]morpholin-4-yl]methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Names & synonyms
SCHEMBL16755004NCVLPGCRWDGVBA-LROBGIAVSA-NEthyl 4-(2-bromo-4-fluorophenyl)-6-(((S)-3-(methoxy(methyl)carbamoyl)morpholino)methyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 73295973
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 911
Related reactions
1 records
Compound notes
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