Basic information
- Standard SMILES
CSc1nccc(-c2ccc(-c3ccc(C(=O)Nc4ccccc4NC(=O)OC(C)(C)C)cc3)s2)n1- InChIKey
UVKLTMLDJQNERE-UHFFFAOYSA-N- Molecular formula
- C27H26N4O3S2
- Average molar mass
- 518.7 g/mol
- Monoisotopic mass
- 518.14463305
Names & identifiers
- Preferred name
- N-(2-t-butoxycarbonylaminophenyl)-4-{5-[2-(methylthio)pyrimidin-4-yl]thien-2-yl}benzamide
- IUPAC
- tert-butyl N-[2-[[4-[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]benzoyl]amino]phenyl]carbamate
Names & synonyms
SCHEMBL2831683UVKLTMLDJQNERE-UHFFFAOYSA-NN-(2-t-butoxycarbonylaminophenyl)-4-{5-[2-(methylthio)pyrimidin-4-yl]thien-2-yl}benzamide
Database identifiers
- PubChem CID
- 68408076
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 741
Related reactions
2 records
Compound notes
Loading…