Basic information
- Standard SMILES
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5)cc4=O)nc31)CN(C(=O)OC(C)(C)C)CCC2- InChIKey
RQKMUHUHRONFNG-UHFFFAOYSA-N- Molecular formula
- C29H31ClN4O4
- Average molar mass
- 535 g/mol
- Monoisotopic mass
- 534.2033832
Names & identifiers
- Preferred name
- tert-Butyl 2-(4-(4-chlorobenzyloxy)-2-oxopyridin-1(2H)-yl)-10-methyl-7,8,9,10-tetrahydropyrido[3',2':4,5]pyrrolo[3,2-c]azepine-6(5H)-carboxylate
- IUPAC
- tert-butyl 5-[4-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-8-methyl-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-13-carboxylate
Names & synonyms
SCHEMBL12949850RQKMUHUHRONFNG-UHFFFAOYSA-Ntert-Butyl 2-(4-(4-chlorobenzyloxy)-2-oxopyridin-1(2H)-yl)-10-methyl-7,8,9,10-tetrahydropyrido[3',2':4,5]pyrrolo[3,2-c]azepine-6(5H)-carboxylate
Database identifiers
- PubChem CID
- 70805253
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 941
Related reactions
1 records
Compound notes
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