Basic information
- CAS
47662-72-6- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccccc2Cl)cc1- InChIKey
NVOZYHBMINYHQA-UHFFFAOYSA-N- Molecular formula
- C23H29ClN2O4
- Average molar mass
- 432.9 g/mol
- Monoisotopic mass
- 432.1815851
Overview
structure given in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- ML 1037
- IUPAC
- 2-(diethylamino)ethyl 4-[[2-(2-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
Names & synonyms
ML 103747662-72-6DTXSID70197239RefChem:159233DTXCID30119730ML-1037BRN 28235904-((2-(Chlorophenoxy)-2-methyl-1-oxopropyl)amino)benzoic acid 2-(diethylamino)ethyl esterBenzoic acid, 4-((2-(chlorophenoxy)-2-methyl-1-oxopropyl)amino)-, 2-(diethylamino)ethyl ester2-(DIETHYLAMINO)ETHYL 4-[2-(2-CHLOROPHENOXY)-2-METHYLPROPANAMIDO]BENZOATE
Database identifiers
- CAS
47662-72-6- PubChem CID
- 39478
- DTXSID
DTXSID70197239
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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