Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CCN(CCC(c2ccccc2)c2ccccc2)C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)c(Cl)s2)CC1- InChIKey
DQAJLKUMPDQDTQ-UHFFFAOYSA-N- Molecular formula
- C38H46ClN5O5S2
- Average molar mass
- 752.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-(3-(5-chloro-4-(4-(methylsulfonamido)phenyl)thiazol-2-yl)-1-(3,3-diphenylpropyl)ureido)ethyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[2-[[5-chloro-4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]carbamoyl-(3,3-diphenylpropyl)amino]ethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3642204DQAJLKUMPDQDTQ-UHFFFAOYSA-Ntert-butyl 4-(2-(3-(5-chloro-4-(4-(methylsulfonamido)phenyl)thiazol-2-yl)-1-(3,3-diphenylpropyl)ureido)ethyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 57586321
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
3 records
Compound notes
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