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Basic information
- Standard SMILES
CCOC(=O)C1=C(CN2CCOC[C@H]2COC(=O)[C@@H](N)C(C)C)NC(c2nccs2)=NC1c1ccc(Cl)cc1Cl- InChIKey
CUAAEOFQFPMMKH-QPTFRZOZSA-N- Molecular formula
- C27H33Cl2N5O5S
- Average molar mass
- 610.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-(((S)-3-((((S)-2-amino-3-methylbutanoyl)oxy)methyl)morpholino)methyl)-4-(2,4-dichlorophenyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
- IUPAC
- ethyl 6-[[(3S)-3-[[(2S)-2-amino-3-methylbutanoyl]oxymethyl]morpholin-4-yl]methyl]-4-(2,4-dichlorophenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Names & synonyms
SCHEMBL16755086CUAAEOFQFPMMKH-QPTFRZOZSA-NEthyl 6-(((S)-3-((((S)-2-amino-3-methylbutanoyl)oxy)methyl)morpholino)methyl)-4-(2,4-dichlorophenyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 73296136
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 970
Related reactions
1 records
Compound notes
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