3,5-Dichlorobenzyl 4-(4-((2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)carbamoyl)thiazol-2-yl)piperazine-1-carboxylate
Basic information
- CAS
1141395-04-1- Standard SMILES
O=C(Nc1ccc2[nH]c(=O)oc2c1)c1csc(N2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)n1- InChIKey
ZMLRSVUKWQUIEM-UHFFFAOYSA-N- Molecular formula
- C23H19Cl2N5O5S
- Average molar mass
- 548.4 g/mol
- Monoisotopic mass
- 547.0483953
Names & identifiers
- Preferred name
- 3,5-Dichlorobenzyl 4-(4-((2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)carbamoyl)thiazol-2-yl)piperazine-1-carboxylate
- IUPAC
- (3,5-dichlorophenyl)methyl 4-[4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate
- English name
- 3,5-dichlorobenzyl 4-(4-((2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)carbaMoyl)thiazol-2-yl)piperazine-1-carboxylate
- Molecular formula
- C23H19Cl2N5O5S
- Molecular weight
- 548.4
Names & synonyms
1141395-04-13,5-Dichlorobenzyl 4-(4-((2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)carbamoyl)thiazol-2-yl)piperazine-1-carboxylate(3,5-dichlorophenyl)methyl 4-[4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]-1,3-thiazol-2-yl]piperazine-1-carboxylateSCHEMBL2810705DTXSID10657847(3,5-Dichlorophenyl)methyl 4-{4-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)carbamoyl]-1,3-thiazol-2-yl}piperazine-1-carboxylate3,5-Dichlorobenzyl4-(4-((2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)carbamoyl)thiazol-2-yl)piperazine-1-carboxylate3,5-Dichlorobenzyl 4-(4-((2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)carbamoyl)thiazol-2-yl)piperazi3,5-Dichlorobenzyl 4-(4-((2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)carbamoyl)thiazol-2-yl)piperazine-1-Piperazinecarboxylic acid, 4-[4-[[(2,3-dihydro-2-oxo-6-benzoxazolyl)amino]carbonyl]-2-thiazolyl]-, (3,5-dichlorophenyl)methyl ester
Database identifiers
- CAS
1141395-04-1- PubChem CID
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 825
Physicochemical properties
- Density
- 1.57 · 1.570±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.52 · 8.52±0.70(Predicted)
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