Basic information
- Standard SMILES
CCN1CCCC1CNC(=O)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1- InChIKey
KTDXDPJKASEDKT-UHFFFAOYSA-N- Molecular formula
- C32H35Cl2N3O3S
- Average molar mass
- 612.6 g/mol
Names & identifiers
- Preferred name
- 3-({1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)-N-(1-ethylpyrrolidin-2-ylmethyl)benzamide
- IUPAC
- 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]methylsulfonylmethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
Names & synonyms
SCHEMBL6011661KTDXDPJKASEDKT-UHFFFAOYSA-N3-({-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)-N-(1-ethylpyrrolidin-2-ylmethyl)benzamide3-({1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methane-sulfonylmethyl)-N-(1-ethylpyrrolidin-2-ylmethyl)benzamide3-({1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)-N-(1-ethylpyrrolidin-2-ylmethyl)benzamide
Database identifiers
- PubChem CID
- 69635683
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 972
Related reactions
4 records
Compound notes
Loading…