Basic information
- Standard SMILES
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(Cc1cc(C(=O)NS(C)(=O)=O)cs1)C[C@H]2c1ccc(C#N)cc1- InChIKey
UXWQUTVSLRHEIH-WNCULLNHSA-N- Molecular formula
- C27H23Cl2N5O5S2
- Average molar mass
- 632.5 g/mol
Names & identifiers
- Preferred name
- N-{5-[(5S*,9R*)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-ylmethyl]-thiophene-3-carbonyl}-methanesulfonamide
- IUPAC
- 5-[[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]methyl]-N-methylsulfonylthiophene-3-carboxamide
Names & synonyms
SCHEMBL3842846UXWQUTVSLRHEIH-WNCULLNHSA-NN-{5-[(5S*,9R*)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-ylmethyl]-thiophene-3-carbonyl }-methanesulfonamideN-{5-[(5S*,9R*)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-ylmethyl]-thiophene-3-carbonyl}-methanesulfonamide
Database identifiers
- PubChem CID
- 60054871
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
2 records
Compound notes
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