Basic information
- Standard SMILES
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCCCCC(=O)NC3CCOC3=O)cc2)cc1- InChIKey
MLOOXQLFFYIQBO-UHFFFAOYSA-N- Molecular formula
- C37H41N3O7S
- Average molar mass
- 671.8 g/mol
- Monoisotopic mass
- 671.26652183
Names & identifiers
- Preferred name
- 5-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)-N-(2-oxotetrahydrofuran-3-yl)pentanamide
- IUPAC
- 5-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]-N-(2-oxooxolan-3-yl)pentanamide
Names & synonyms
SCHEMBL3962856MLOOXQLFFYIQBO-UHFFFAOYSA-N5-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)-N-(2-oxotetrahydrofuran-3-yl)pentanamide
Database identifiers
- PubChem CID
- 10283301
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
2 records
Compound notes
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