Basic information
- Standard SMILES
COC(=O)C1=C(CN2CCOC[C@H]2C(=O)O)NC(c2nccs2)=NC1c1ccc(Cl)cc1Cl- InChIKey
QWLJENRKYCPKHE-MYJWUSKBSA-N- Molecular formula
- C21H20Cl2N4O5S
- Average molar mass
- 511.4 g/mol
Names & identifiers
- Preferred name
- (3S)-4-((6-(2,4-dichlorophenyl)-5-(methoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholine-3-carboxylic acid
- IUPAC
- (3S)-4-[[4-(2,4-dichlorophenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid
Names & synonyms
SCHEMBL15572590QWLJENRKYCPKHE-MYJWUSKBSA-N(3S)-4-((6-(2,4-dichlorophenyl)-5-(methoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholine-3-carboxylic acid
Database identifiers
- PubChem CID
- 90042997
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 828
Related reactions
1 records
Compound notes
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