Basic information
- CAS
355002-08-3- Standard SMILES
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1- InChIKey
KQRPWDUTJGGWCN-UHFFFAOYSA-N- Molecular formula
- C26H28BrNO6S
- Average molar mass
- 562.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(4-bromophenyl)-2-[(3,4,5-triethoxybenzoyl)amino]-3-thiophenecarboxylate
- IUPAC
- ethyl 4-(4-bromophenyl)-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylate
- English name
- ethyl 4-(4-bromophenyl)-2-[(3,4,5-triethoxybenzoyl)amino]-3-thiophenecarboxylate
- Molecular formula
- C26H28BrNO6S
- Molecular weight
- 562.47262
Names & synonyms
ethyl 4-(4-bromophenyl)-2-[(3,4,5-triethoxybenzoyl)amino]-3-thiophenecarboxylate355002-08-3Oprea1_845425AK-968/13025167STK428493ZINC08443645AKOS002947552ethyl 4-(4-bromophenyl)-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylateST50924111ethyl 4-(4-bromophenyl)-2-[(3,4,5-triethoxyphenyl)carbonylamino]thiophene-3-ca rboxylateethyl 4-(4-bromophenyl)-2-{[(3,4,5-triethoxyphenyl)carbonyl]amino}thiophene-3-carboxylate
Database identifiers
- CAS
355002-08-3
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 660
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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