Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCC(=O)N1CCN(c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1- InChIKey
YOPCABUYDOOKRC-UHFFFAOYSA-N- Molecular formula
- C35H40Cl2N4O5S
- Average molar mass
- 699.7 g/mol
Names & identifiers
- Preferred name
- (2-{4-[3-({1-[Bis-(4-chlorophenyl)methyl] azetidin-3-ylidene} methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-[4-[3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-ylidene]methylsulfonylmethyl]phenyl]piperazin-1-yl]-2-oxoethyl]carbamate
Names & synonyms
SCHEMBL6011688YOPCABUYDOOKRC-UHFFFAOYSA-N(2-{4-[3-({1-[bis-(4-chlorophenyl)methyl] azetidin-3-ylidene} methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)carbamic acid tert-butyl ester(2-{4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methane-sulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)-carbamic acid tert-butyl ester(2-{4-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-oxoethyl)carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69635699
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
6 records
Compound notes
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