Basic information
- Standard SMILES
COC(=O)c1nc(N[C@@H]2c3ccccc3C[C@@H]2OC(C)=O)c(OC)nc1-c1ccc(Cl)cc1Cl- InChIKey
GDLBHJYZNDSHQU-RBUKOAKNSA-N- Molecular formula
- C24H21Cl2N3O5
- Average molar mass
- 502.3 g/mol
Names & identifiers
- Preferred name
- methyl 6-{[(1R,2S)-2-(acetyloxy)-2,3-dihydro-1H-inden-1-yl]amino}-3-(2,4-dichlorophenyl)-5-methoxypyrazine-2-carboxylate
- IUPAC
- methyl 6-[[(1R,2S)-2-acetyloxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(2,4-dichlorophenyl)-5-methoxypyrazine-2-carboxylate
Names & synonyms
SCHEMBL3845176GDLBHJYZNDSHQU-RBUKOAKNSA-Nmethyl 6-{[(1R,2S)-2-(acetyloxy)-2,3-dihydro-1H-inden-1-yl]amino}-3-(2,4-dichlorophenyl)-5-methoxypyrazine-2-carboxylate
Database identifiers
- PubChem CID
- 58583249
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 731
Related reactions
2 records
Compound notes
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