AD78557
110221-26-6 | (2S,6R)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one
Manufacturer: A2B Chem
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CatalogNumber
AD78557
ChemicalName
(2S,6R)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one
CasNumber
110221-26-6
MolecularFormula
C9H12N2OS2
MolecularWeight
228.3344
MdlNumber
MFCD08458730
Smiles
O=C1NC[C@H](SC[C@@H]1N)c1cccs1
Complexity
225
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.3
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CatalogNumber: AD78557
ChemicalName: (2S,6R)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one
CasNumber: 110221-26-6
MolecularFormula: C9H12N2OS2
MolecularWeight: 228.3344
MdlNumber: MFCD08458730
Smiles: O=C1NC[C@H](SC[C@@H]1N)c1cccs1
Complexity: 225
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.3
CatalogNumber:
AD78557
ChemicalName:
(2S,6R)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one
CasNumber:
110221-26-6
MolecularFormula:
C9H12N2OS2
MolecularWeight:
228.3344
MdlNumber:
MFCD08458730
Smiles:
O=C1NC[C@H](SC[C@@H]1N)c1cccs1
Complexity:
225
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.3
CatalogNumber: __
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Smiles: OCC1=NOC(C1)C(C)(C)C
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Smiles:
OCC1=NOC(C1)C(C)(C)C
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Smiles: CC(NC(=O)Nc1ccccc1)CCc1ccco1
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CasNumber:
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Smiles:
CC(NC(=O)Nc1ccccc1)CCc1ccco1
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Oc1ccc2c(c1)CNCC2.Br
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc2c(c1)CNCC2.Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__