Basic information
- CAS
149554-31-4- Standard SMILES
CC(C)(C)OC(=O)CN1CCC(N2CCN(c3ccc(C(N)=NO)cc3)CC2)CC1- InChIKey
DSZNMOPZHUMIGZ-UHFFFAOYSA-N- Molecular formula
- C22H35N5O3
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.27399
Names & identifiers
- Preferred name
- tert-butyl 2-[4-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate
- IUPAC
- tert-butyl 2-[4-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]piperazin-1-yl]piperidin-1-yl]acetate
Names & synonyms
SCHEMBL7338384
Database identifiers
- CAS
149554-31-4- PubChem CID
- 85122245
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 582
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…