Basic information
- Standard SMILES
COc1ccc(CCN(CCCN2C(=O)c3c(ccc(N)c3N)C(C)(C)C2=O)C(=O)OC(C)(C)C)cc1OC- InChIKey
BMXMTFDXTOOARC-UHFFFAOYSA-N- Molecular formula
- C29H40N4O6
- Average molar mass
- 540.7 g/mol
- Monoisotopic mass
- 540.29478501
Names & identifiers
- Preferred name
- tert-Butyl [3-(7,8-diamino-4,4-dimethyl-1,3-dioxo-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-[2-(3,4-dimethoxyphenyl)ethyl]carbamate
- IUPAC
- tert-butyl N-[3-(7,8-diamino-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)propyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate
Names & synonyms
SCHEMBL5456761BMXMTFDXTOOARC-UHFFFAOYSA-Ntert-Butyl [3-(7,8-diamino-4,4-dimethyl-1,3-dioxo-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-[2-(3,4-dimethoxyphenyl)ethyl]carbamatetert-Butyl[3-(7,8-diamino-4,4-dimethyl-1,3-dioxo-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-[2-(3,4-dimethoxyphenyl)ethyl]carbamate
Database identifiers
- PubChem CID
- 59645485
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 874
Related reactions
2 records
Compound notes
Loading…