AF56887
401564-36-1 | (S)-tert-Butyl 4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF56887
ChemicalName
(S)-tert-Butyl 4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CasNumber
401564-36-1
MolecularFormula
C13H20N2O4S
MolecularWeight
300.3739
MdlNumber
MFCD22665915
Smiles
O=C1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)N1CCSC1
Complexity
433
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
0.7
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CatalogNumber: AF56887
ChemicalName: (S)-tert-Butyl 4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CasNumber: 401564-36-1
MolecularFormula: C13H20N2O4S
MolecularWeight: 300.3739
MdlNumber: MFCD22665915
Smiles: O=C1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)N1CCSC1
Complexity: 433
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AF56887
ChemicalName:
(S)-tert-Butyl 4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CasNumber:
401564-36-1
MolecularFormula:
C13H20N2O4S
MolecularWeight:
300.3739
MdlNumber:
MFCD22665915
Smiles:
O=C1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)N1CCSC1
Complexity:
433
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: AF56889
ChemicalName: 2-Nitro-4-(trifluoromethyl)benzoic acid
CasNumber: 320-94-5
MolecularFormula: C8H4F3NO4
MolecularWeight: 235.1168696
MdlNumber: MFCD00007142
Smiles: [O-][N+](=O)c1cc(ccc1C(=O)O)C(F)(F)F
Complexity: 299
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AF56889
ChemicalName:
2-Nitro-4-(trifluoromethyl)benzoic acid
CasNumber:
320-94-5
MolecularFormula:
C8H4F3NO4
MolecularWeight:
235.1168696
MdlNumber:
MFCD00007142
Smiles:
[O-][N+](=O)c1cc(ccc1C(=O)O)C(F)(F)F
Complexity:
299
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
RotatableBondCount:
1
Xlogp3:
1.7
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RotatableBondCount:
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Smiles: CC1CCC(CC1)N=C=O
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Smiles:
CC1CCC(CC1)N=C=O
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__