Basic information
- Standard SMILES
COc1cc(OC)c(CN2C[C@@H](Cc3cc(Cl)ccc3OC)C(=O)N(C(=O)Oc3ccccc3Cl)CC2=O)c(OC)c1- InChIKey
SPLYSLFPZDWGSH-LJQANCHMSA-N- Molecular formula
- C30H30Cl2N2O8
- Average molar mass
- 617.5 g/mol
Names & identifiers
- Preferred name
- (6R)-2-chlorophenyl 6-(5-chloro-2-methoxybenzyl)-3,7-dioxo-4-(2,4,6-trimethoxybenzyl)-1,4-diazepan-1-carboxylate
- IUPAC
- (2-chlorophenyl) (6R)-6-[(5-chloro-2-methoxyphenyl)methyl]-3,7-dioxo-4-[(2,4,6-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxylate
Names & synonyms
SCHEMBL1186586SPLYSLFPZDWGSH-LJQANCHMSA-N(6R)-2-chlorophenyl 6-(5-chloro-2-methoxybenzyl)-3,7-dioxo-4-(2,4,6-trimethoxybenzyl)-1,4-diazepan-1-carboxylate(6R)-2-chlorophenyl 6-(5-chloro-2-methoxybenzyl)-3,7-dioxo-4-(2,4,6-trimethoxybenzyl)-1,4-diazepane-1-carboxylate
Database identifiers
- PubChem CID
- 66935304
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 914
Related reactions
4 records
Compound notes
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