Carbamic acid, (1,3-dimethylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
Basic information
- CAS
129230-07-5- Standard SMILES
COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)CC(C)C)C2)cc(OC)c1OC- InChIKey
VJAMGEUEUBUVCW-UHFFFAOYSA-N- Molecular formula
- C32H45N3O10
- Average molar mass
- 631.7 g/mol
- Monoisotopic mass
- 631.31049464
Names & identifiers
- Preferred name
- Carbamic acid, (1,3-dimethylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester
- IUPAC
- [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(4-methylpentan-2-yl)carbamate
Names & synonyms
129230-07-5Carbamic acid, (1,3-dimethylbutyl)-, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl esterN,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-N''-(1',3'-dimethyl)butylcarbamoyloxymethylpiperazineCarbamic acid, (1,3-dimethylbutyl)-, [1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl]methyl esterRefChem:331739CHEMBL269132DTXSID10926348BDBM50046978[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl N-(1,3-dimethylbutyl)carbamate(1,3-Dimethyl-butyl)-carbamic acid 1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl ester[1,4-Bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl hydrogen (4-methylpentan-2-yl)carbonimidate
Database identifiers
- CAS
129230-07-5- PubChem CID
- 460131
- DTXSID
DTXSID10926348- ChEMBL
CHEMBL269132- Nikkaji
- J1.371.036H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 926
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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