C,Ca(2)-Dibutyl N,Na(2)-[2-[2-[4-[2-amino-1-(4-chlorophenyl)-2-oxoethyl]-3-chlorophenyl]hydrazinylidene]-1,3-dioxo-1,3-propanediyl]bis[carbamate]
Basic information
- CAS
1184931-99-4- Standard SMILES
CCCCOC(=O)NC(=O)C(=NNc1ccc(C(C(N)=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)NC(=O)OCCCC- InChIKey
AFDDFSOIQMRJDB-UHFFFAOYSA-N- Molecular formula
- C27H31Cl2N5O7
- Average molar mass
- 608.5 g/mol
- Monoisotopic mass
- 607.1600537
Names & identifiers
- Preferred name
- C,Ca(2)-Dibutyl N,Na(2)-[2-[2-[4-[2-amino-1-(4-chlorophenyl)-2-oxoethyl]-3-chlorophenyl]hydrazinylidene]-1,3-dioxo-1,3-propanediyl]bis[carbamate]
- IUPAC
- butyl N-[2-[[4-[2-amino-1-(4-chlorophenyl)-2-oxoethyl]-3-chlorophenyl]hydrazinylidene]-3-(butoxycarbonylamino)-3-oxopropanoyl]carbamate
Names & synonyms
DTXSID2011012311184931-99-4C,Ca(2)-Dibutyl N,Na(2)-[2-[2-[4-[2-amino-1-(4-chlorophenyl)-2-oxoethyl]-3-chlorophenyl]hydrazinylidene]-1,3-dioxo-1,3-propanediyl]bis[carbamate]
Database identifiers
- CAS
1184931-99-4- PubChem CID
- 165366558
- DTXSID
DTXSID201101231
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 905
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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