Basic information
- Standard SMILES
O=C(NCC1CC1)c1cccc(CS(=O)(=O)C=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1- InChIKey
NVLVGHQEGLQVIL-UHFFFAOYSA-N- Molecular formula
- C29H28Cl2N2O3S
- Average molar mass
- 555.5 g/mol
Names & identifiers
- Preferred name
- 3-({1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)-N-cyclopropylmethylbenzamide
- IUPAC
- 3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]methylsulfonylmethyl]-N-(cyclopropylmethyl)benzamide
Names & synonyms
SCHEMBL6011605NVLVGHQEGLQVIL-UHFFFAOYSA-N3-({1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)-N-cyclopropylmethylbenzamide
Database identifiers
- PubChem CID
- 69635657
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 886
Related reactions
3 records
Compound notes
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