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Basic information
- Standard SMILES
CC1(C)SC2C(N3C(=O)C(c4ccccc4)NC3(C)C)C(=O)N2C1C(=O)O- InChIKey
DXVUYOAEDJXBPY-UHFFFAOYSA-N- Molecular formula
- C19H23N3O4S
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.1409274
Names & identifiers
- Preferred name
- 6-(2,2-Dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- 6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidCHEMBL1625673SCHEMBL11475948DTXSID60859814AKOS0302419594-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[(4R)-2,2-dimethyl-5-oxo-4-phenyl-1-imidazolidinyl]-3,3-dimethyl-7-oxo-,(2S,5R,6R)-
Database identifiers
- PubChem CID
- 3596
- DTXSID
DTXSID60859814- ChEMBL
CHEMBL1625673- Nikkaji
- J25.626I
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 688
Related reactions
1 records
Compound notes
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