Basic information
- Standard SMILES
CCOC(=O)C1=C(CN2CCOCC2C(=O)O)NC(c2nccs2)=NC1c1ccccc1[N+](=O)[O-]- InChIKey
BBLVJWYJXCCUSY-UHFFFAOYSA-N- Molecular formula
- C22H23N5O7S
- Average molar mass
- 501.5 g/mol
- Monoisotopic mass
- 501.13181926
Names & identifiers
- Preferred name
- 4-((5-(Ethoxycarbonyl)-6-(2-nitrophenyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholine-3-carboxylic acid
- IUPAC
- 4-[[5-ethoxycarbonyl-4-(2-nitrophenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]morpholine-3-carboxylic acid
Names & synonyms
SCHEMBL15573202BBLVJWYJXCCUSY-UHFFFAOYSA-N4-((5-(ethoxycarbonyl)-6-(2-nitrophenyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholine-3-carboxylic acid
Database identifiers
- PubChem CID
- 90043392
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 892
Related reactions
1 records
Compound notes
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