Basic information
- Standard SMILES
COc1ccc(COC(C)(C)c2ccc(-c3nc(COCCNC(=O)OCC4c5ccccc5-c5ccccc54)n4c3cnc3c4ccn3S(=O)(=O)c3ccc(C)cc3)cc2)cc1- InChIKey
RILJCZOLDDBFST-UHFFFAOYSA-N- Molecular formula
- C50H47N5O7S
- Average molar mass
- 862 g/mol
- Monoisotopic mass
- 861.31962003
Names & identifiers
- Preferred name
- (9H-fluoren-9-yl)methyl 2-((3-(4-(2-(4-methoxybenzyloxy)propan-2-yl)phenyl)-6-tosyl-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazin-1-yl)methoxy)ethylcarbamate
- IUPAC
- 9H-fluoren-9-ylmethyl N-[2-[[10-[4-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]phenyl]-5-(4-methylphenyl)sulfonyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]methoxy]ethyl]carbamate
Names & synonyms
SCHEMBL2318714RILJCZOLDDBFST-UHFFFAOYSA-N(9H-fluoren-9-yl)methyl 2-((3-(4-(2-(4-methoxybenzyloxy)propan-2-yl)phenyl)-6-tosyl-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazin-1-yl)methoxy)ethylcarbamate
Database identifiers
- PubChem CID
- 67362121
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,570
Related reactions
1 records
Compound notes
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