Basic information
- CAS
444933-77-1- Standard SMILES
Cc1ccc(-c2csc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C(=O)OC(C)C)cc1- InChIKey
URYSJJKZKPVSID-UHFFFAOYSA-N- Molecular formula
- C23H22N2O5S
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.12494298
Names & identifiers
- Preferred name
- Isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate
- IUPAC
- propan-2-yl 2-[(4-methyl-3-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
- English name
- isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate
- Molecular formula
- C23H22N2O5S
- Molecular weight
- 438.5
Names & synonyms
isopropyl 2-({3-nitro-4-methylbenzoyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylateOprea1_435576AK-968/15605976STK316571AKOS003303802propan-2-yl 2-[(4-methyl-3-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylateisopropyl 2-(4-methyl-3-nitrobenzamido)-4-(p-tolyl)thiophene-3-carboxylatepropan-2-yl 2-(4-methyl-3-nitrobenzamido)-4-(4-methylphenyl)thiophene-3-carboxylate444933-77-1propan-2-yl 2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate3-Thiophenecarboxylic acid, 2-[(4-methyl-3-nitrobenzoyl)amino]-4-(4-methylphenyl)-, 1-methylethyl ester
Database identifiers
- CAS
444933-77-1- PubChem CID
- 1747840
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 659
Physicochemical properties
- Boiling point
- 533.7 · 533.7±50.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- pka
- 11.61 · 11.61±0.70(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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