Basic information
- CAS
447411-93-0- Standard SMILES
CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1- InChIKey
KIQUVMAZPLWNDI-UHFFFAOYSA-N- Molecular formula
- C19H19N5O3
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.14878949
Names & identifiers
- Preferred name
- Ethyl 4-((2-(5-(2-methylphenyl)-2H-tetrazol-2-yl)acetyl)amino)benzoate
- IUPAC
- ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoate
Names & synonyms
447411-93-0Ethyl 4-[[2-[5-(2-methylphenyl)-2H-tetrazol-2-yl]acetyl]amino]benzoateEthyl 4-((2-(5-(2-methylphenyl)-2H-tetrazol-2-yl)acetyl)amino)benzoateRefChem:343622ethyl 4-({[5-(2-methylphenyl)-2H-tetrazol-2-yl]acetyl}amino)benzoateEthyl 4-{2-[5-(2-methylphenyl)-2H-tetrazol-2-yl]acetamido}benzoateSMR000021043MLS000043832Oprea1_474409MLS002589594CHEMBL1445532KIQUVMAZPLWNDI-UHFFFAOYSA-N
Show more names
DTXSID701155421HMS2330D15ethyl 4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzoateSTK765884AKOS000836487EU-0019389VU0071286-5AN-465/15281087
Database identifiers
- CAS
447411-93-0- PubChem CID
- 589347
- DTXSID
DTXSID701155421- ChEMBL
CHEMBL1445532
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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