Basic information
- Standard SMILES
COc1ccc(CN=S(=O)(NC(=O)Nc2ccc(N3C(=O)c4ccc(Cl)cc4C3=O)c(C)c2)c2ccccc2)cc1- InChIKey
BPHXDXXFYLQFMG-UHFFFAOYSA-N- Molecular formula
- C30H25ClN4O5S
- Average molar mass
- 589.1 g/mol
Names & identifiers
- Preferred name
- {[4-(5-Chloro-1,3-dioxobenzo[c]azolidin-2-yl)-3-methylphenyl]-amino}-n-(n-p-methoxybenzylphenylsulfonimidoyl)carboxamide
- IUPAC
- 1-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-3-[N-[(4-methoxyphenyl)methyl]-S-phenylsulfonimidoyl]urea
Names & synonyms
SCHEMBL9920069BPHXDXXFYLQFMG-UHFFFAOYSA-N{[4-(5-chloro-1,3-dioxobenzo[c]azolidin-2-yl)-3-methylphenyl]-amino}-n-(n-p-methoxybenzylphenylsulfonimidoyl)carboxamide{[4-(5-chloro-1,3-dioxobenzo[c]azolidin-2-yl)-3-methylphenyl]-amino}n-(n-p-methoxybenzylphenylsulfonimidoyl)carboxamide
Database identifiers
- PubChem CID
- 20799232
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
6 records
Compound notes
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