AI11649
1182359-40-5 | tert-Butyl 3-thioxopiperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI11649
ChemicalName
tert-Butyl 3-thioxopiperazine-1-carboxylate
CasNumber
1182359-40-5
MolecularFormula
C9H16N2O2S
MolecularWeight
216.30053999999996
MdlNumber
MFCD19105267
Smiles
S=C1NCCN(C1)C(=O)OC(C)(C)C
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AI11649
ChemicalName: tert-Butyl 3-thioxopiperazine-1-carboxylate
CasNumber: 1182359-40-5
MolecularFormula: C9H16N2O2S
MolecularWeight: 216.30053999999996
MdlNumber: MFCD19105267
Smiles: S=C1NCCN(C1)C(=O)OC(C)(C)C
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AI11649
ChemicalName:
tert-Butyl 3-thioxopiperazine-1-carboxylate
CasNumber:
1182359-40-5
MolecularFormula:
C9H16N2O2S
MolecularWeight:
216.30053999999996
MdlNumber:
MFCD19105267
Smiles:
S=C1NCCN(C1)C(=O)OC(C)(C)C
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCc1ccc(cc1)c1ccc(cc1C(=O)O)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCc1ccc(cc1)c1ccc(cc1C(=O)O)F
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Fc1ccc(c(c1)c1cc(F)ccc1C(=O)O)F
Complexity: __
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Xlogp3: __
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Smiles:
Fc1ccc(c(c1)c1cc(F)ccc1C(=O)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Fc1ccc(c(c1)F)c1cc(F)ccc1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(c(c1)F)c1cc(F)ccc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__