Basic information
- Standard SMILES
COCCCn1c(C2CCCN(C(=O)CC(Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)C2)nc2ccncc21- InChIKey
CAAPZTHSRKDLCG-UHFFFAOYSA-N- Molecular formula
- C30H40BrN5O4
- Average molar mass
- 614.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[1-(4-bromophenyl)-4-[3-[3-(3-methoxypropyl)imidazo[4,5-c]pyridin-2-yl]piperidin-1-yl]-4-oxobutan-2-yl]carbamate
- IUPAC
- tert-butyl N-[1-(4-bromophenyl)-4-[3-[3-(3-methoxypropyl)imidazo[4,5-c]pyridin-2-yl]piperidin-1-yl]-4-oxobutan-2-yl]carbamate
Database identifiers
- PubChem CID
- 77190875
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 818
Related reactions
1 records
Compound notes
Loading…