Basic information
- Standard SMILES
CCOC(=O)CNC(=O)C1COCCN1CC1=C(C(=O)OCC)C(c2ccc(F)cc2Br)N=C(c2nccs2)N1- InChIKey
XBDLZXRDUUUTJW-UHFFFAOYSA-N- Molecular formula
- C26H29BrFN5O6S
- Average molar mass
- 638.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(2-bromo-4-fluorophenyl)-6-((3-((2-ethoxy-2-oxoethyl)carbamoyl)morpholino)methyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
- IUPAC
- ethyl 4-(2-bromo-4-fluorophenyl)-6-[[3-[(2-ethoxy-2-oxoethyl)carbamoyl]morpholin-4-yl]methyl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Names & synonyms
SCHEMBL15573683XBDLZXRDUUUTJW-UHFFFAOYSA-NEthyl 4-(2-bromo-4-fluorophenyl)-6-((3-((2-ethoxy-2-oxoethyl)carbamoyl)morpholino)methyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 90043740
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
2 records
Compound notes
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