Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCOC(CNC(=O)Cn2cncn2)C(c2ccc(Cl)c(Cl)c2)C1- InChIKey
LDDSBAAECLAAAI-UHFFFAOYSA-N- Molecular formula
- C21H27Cl2N5O4
- Average molar mass
- 484.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl (6SR,7SR)-6-(3,4-dichlorophenyl)-7-{[(1H-1,2,4-triazol-1-ylacetyl)amino]methyl}-1,4-oxazepane-4-carboxylate
- IUPAC
- tert-butyl 6-(3,4-dichlorophenyl)-7-[[[2-(1,2,4-triazol-1-yl)acetyl]amino]methyl]-1,4-oxazepane-4-carboxylate
Names & synonyms
SCHEMBL1281104LDDSBAAECLAAAI-UHFFFAOYSA-Ntert-butyl (6SR,7SR)-6-(3,4-dichlorophenyl)-7-{[(1H-1,2,4-triazol-1-ylacetyl)amino]methyl}-1,4-oxazepane-4-carboxylate
Database identifiers
- PubChem CID
- 66976357
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 650
Related reactions
1 records
Compound notes
Loading…