Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(CCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1- InChIKey
BKQSLDPLBAVHGA-UHFFFAOYSA-N- Molecular formula
- C34H36ClN7O5
- Average molar mass
- 658.1 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-(1-(4-chlorophenyl)-3-(1,3-dioxoisoindolin-2-yl)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[1-(4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
Names & synonyms
SCHEMBL391912BKQSLDPLBAVHGA-UHFFFAOYSA-Ntert-butyl 4-(1-(4-chlorophenyl)-3-(1,3-dioxoisoindolin-2-yl)propylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
Database identifiers
- PubChem CID
- 57750333
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
4 records
Compound notes
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