Basic information
- Standard SMILES
COC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)O[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CN3- InChIKey
ZMCZFLLAEWLKJP-SVNIRARHSA-N- Molecular formula
- C31H32Cl2N2O6
- Average molar mass
- 599.5 g/mol
Names & identifiers
- Preferred name
- (S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1,2,3,5,7,8-hexahydro-4-oxa-1,6-diaza-anthracene-6,7-dicarboxylic acid 6-tert-butyl ester 7-methyl ester
- IUPAC
- 7-O-tert-butyl 8-O-methyl (3S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,2,3,6,8,9-hexahydropyrido[4,3-g][1,4]benzoxazine-7,8-dicarboxylate
Names & synonyms
SCHEMBL539629ZMCZFLLAEWLKJP-SVNIRARHSA-N(S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1,2,3,5,7,8-hexahydro-4-oxa-1,6-diaza-anthracene-6,7-dicarboxylic acid 6-tert-butyl ester 7-methyl ester
Database identifiers
- PubChem CID
- 66719396
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 910
Related reactions
18 records
Compound notes
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