Propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylate
Basic information
- CAS
352690-92-7- Standard SMILES
CCOc1cc(C(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C(=O)OC(C)C)cc(OCC)c1OCC- InChIKey
KVLDDUMOQYWGSH-UHFFFAOYSA-N- Molecular formula
- C27H38N2O7S
- Average molar mass
- 534.7 g/mol
Names & identifiers
- Preferred name
- Propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylate
- IUPAC
- propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylate
- English name
- isopropyl 5-[(diethylamino)carbonyl]-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]-3-thiophenecarboxylate
- Molecular formula
- C27H38N2O7S
- Molecular weight
- 534.66482
Names & synonyms
propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]thiophene-3-carboxylateisopropyl 5-[(diethylamino)carbonyl]-4-methyl-2-[(3,4,5-triethoxybenzoyl)amino]-3-thiophenecarboxylateCBMicro_021075Oprea1_275335CCG-13971STK428482AKOS003272190BIM-0021021.P001ST50919895AK-968/12264034352690-92-7methylethyl 5-(N,N-diethylcarbamoyl)-4-methyl-2-[(3,4,5-triethoxyphenyl)carbon ylamino]thiophene-3-carboxylate
Show more names
propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-{[(3,4,5-triethoxyphenyl)carbonyl]amino}thiophene-3-carboxylate
Database identifiers
- CAS
352690-92-7
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 732
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