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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)NC(Cc2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1- InChIKey
ZVWLRFQBGQTBDI-UHFFFAOYSA-N- Molecular formula
- C47H47ClN8O3
- Average molar mass
- 807.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-(1-(4-chlorophenyl)-2-(1-trityl-1H-imidazol-2-yl)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[1-(4-chlorophenyl)-2-(1-tritylimidazol-2-yl)ethyl]carbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
Names & synonyms
SCHEMBL390916ZVWLRFQBGQTBDI-UHFFFAOYSA-Ntert-butyl 4-(1-(4-chlorophenyl)-2-(1-trityl-1H-imidazol-2-yl)ethylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
Database identifiers
- PubChem CID
- 57750358
Properties
Computed structural propertiesFilling in
- XLogP
- 8.5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,320
Related reactions
3 records
Compound notes
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