Basic information
- Standard SMILES
COCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(-c3cncnc3)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1- InChIKey
WJCYFNXDPNSUMZ-SUYBVONHSA-N- Molecular formula
- C31H31Cl2N7O5S
- Average molar mass
- 684.6 g/mol
Names & identifiers
- Preferred name
- (S)-1-[(R)-7(3,5-dichloro-phenyl)-5-methyl-6-oxo-5-(4-pyrimidin-5-yl-benzyl)-6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid (2-methoxy-ethyl)-amide
- IUPAC
- (2S)-1-[(5R)-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[(4-pyrimidin-5-ylphenyl)methyl]imidazo[1,2-a]imidazol-3-yl]sulfonyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
Names & synonyms
SCHEMBL13993153WJCYFNXDPNSUMZ-SUYBVONHSA-N(S)-1-[(R)-7(3,5-dichloro-phenyl)-5-methyl-6-oxo-5-(4-pyrimidin-5-yl-benzyl)-6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid (2-methoxy-ethyl)-amide(S)-1-[(R)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-5-(4-pyrimidin-5-yl-benzyl)-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid (2-methoxy-ethyl)-amide
Database identifiers
- PubChem CID
- 12136451
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
2 records
Compound notes
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