Basic information
- Standard SMILES
COC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3c2c(Br)cn3S(=O)(=O)c2ccc(C)cc2)CC1- InChIKey
CCWMEJGZUPBPJE-UHFFFAOYSA-N- Molecular formula
- C25H30BrN5O6S
- Average molar mass
- 608.5 g/mol
Names & identifiers
- Preferred name
- methyl 1-(5-bromo-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(tert-butoxycarbonylamino)piperidine-4-carboxylate
- IUPAC
- methyl 1-[5-bromo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
Names & synonyms
SCHEMBL391399CCWMEJGZUPBPJE-UHFFFAOYSA-Nmethyl 1-(5-bromo-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-(tert-butoxycarbonylamino)piperidine-4-carboxylate
Database identifiers
- PubChem CID
- 57750316
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 970
Related reactions
4 records
Linked notes
Loading…