Ethyl 5-(1-azepanylcarbonyl)-2-[(4-bromobenzoyl)amino]-4-methyl-3-thiophenecarboxylate
Basic information
- CAS
303140-83-2- Standard SMILES
CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc(C(=O)N2CCCCCC2)c1C- InChIKey
LWFDNKILMHTYDH-UHFFFAOYSA-N- Molecular formula
- C22H25BrN2O4S
- Average molar mass
- 493.4 g/mol
- Monoisotopic mass
- 492.07184
Names & identifiers
- Preferred name
- Ethyl 5-(1-azepanylcarbonyl)-2-[(4-bromobenzoyl)amino]-4-methyl-3-thiophenecarboxylate
- IUPAC
- ethyl 5-(azepane-1-carbonyl)-2-[(4-bromobenzoyl)amino]-4-methylthiophene-3-carboxylate
- English name
- Ethyl 5-(1-azepanylcarbonyl)-2-[(4-bromobenzoyl)amino]-4-methyl-3-thiophenecarboxylate
- Molecular weight
- 0
Names & synonyms
ETHYL 5-(1-AZEPANYLCARBONYL)-2-[(4-BROMOBENZOYL)AMINO]-4-METHYL-3-THIOPHENECARBOXYLATEOprea1_169982Oprea1_804291STK375647AKOS000654737ST50005797AG-690/12868950ethyl 5-(azaperhydroepinylcarbonyl)-2-[(4-bromophenyl)carbonylamino]-4-methylt hiophene-3-carboxylateethyl 5-(azepan-1-ylcarbonyl)-2-{[(4-bromophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
Database identifiers
- CAS
303140-83-2- PubChem CID
- 983299
- EC Number
- 159-383-9
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 618
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Related reactions
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Compound notes
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