Basic information
- Standard SMILES
COc1ccnc(CN(CCCCNC(=O)OC(C)(C)C)Cc2ncc(C)cc2C)c1OC- InChIKey
FXFSEQMQMHJLLF-UHFFFAOYSA-N- Molecular formula
- C25H38N4O4
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.28930571
Names & identifiers
- Preferred name
- {4-[(3,4-Dimethoxy-pyridin-2-ylmethyl)-(3,5-dimethyl-pyridin-2-ylmethyl)-amino]-butyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-[(3,4-dimethoxy-2-pyridinyl)methyl-[(3,5-dimethyl-2-pyridinyl)methyl]amino]butyl]carbamate
Names & synonyms
SCHEMBL2083196FXFSEQMQMHJLLF-UHFFFAOYSA-N{4-[(3,4-dimethoxy-pyridin-2-ylmethyl)-(3,5-dimethyl-pyridin-2-ylmethyl)-amino]-butyl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67271982
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 571
Related reactions
2 records
Compound notes
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