Basic information
- Standard SMILES
CCOC(=O)CN(C1CC1)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(CCc4ccc(C(=O)OC)cc4)cc2)CCCC3)c1- InChIKey
FVURCBQAWVJTBP-UHFFFAOYSA-N- Molecular formula
- C39H41N3O8S2
- Average molar mass
- 743.9 g/mol
Names & identifiers
- Preferred name
- Methyl 4-{2-[4-({[2-({3-[cyclopropyl(2-ethoxy-2-oxoethyl)sulfamoyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl}amino)phenyl]ethyl}benzoate
- IUPAC
- methyl 4-[2-[4-[[2-[[3-[cyclopropyl-(2-ethoxy-2-oxoethyl)sulfamoyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoate
Names & synonyms
SCHEMBL14659649FVURCBQAWVJTBP-UHFFFAOYSA-Nmethyl 4-{2-[4-({[2-({3-[cyclopropyl(2-ethoxy-2-oxoethyl)sulfamoyl]benzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl}amino)phenyl]ethyl}benzoate
Database identifiers
- PubChem CID
- 71238495
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,350
Related reactions
2 records
Compound notes
Loading…