AE81315
176957-55-4 | 2,5-Bis(2-thienylmethylene)-cyclopentanone
Manufacturer: A2B Chem
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CatalogNumber
AE81315
ChemicalName
2,5-Bis(2-thienylmethylene)-cyclopentanone
CasNumber
176957-55-4
MolecularFormula
C15H12OS2
MolecularWeight
272.3852
MdlNumber
MFCD00121546
Smiles
O=C1C(=Cc2cccs2)CC/C/1=Cc1cccs1
Complexity
361
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
2
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
4
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CatalogNumber: AE81315
ChemicalName: 2,5-Bis(2-thienylmethylene)-cyclopentanone
CasNumber: 176957-55-4
MolecularFormula: C15H12OS2
MolecularWeight: 272.3852
MdlNumber: MFCD00121546
Smiles: O=C1C(=Cc2cccs2)CC/C/1=Cc1cccs1
Complexity: 361
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 4
CatalogNumber:
AE81315
ChemicalName:
2,5-Bis(2-thienylmethylene)-cyclopentanone
CasNumber:
176957-55-4
MolecularFormula:
C15H12OS2
MolecularWeight:
272.3852
MdlNumber:
MFCD00121546
Smiles:
O=C1C(=Cc2cccs2)CC/C/1=Cc1cccs1
Complexity:
361
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
4
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CasNumber: __
MolecularFormula: __
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Smiles: CN(C/C=C/C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
CN(C/C=C/C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC1SCC2(O1)CN1CCC2CC1.CC1SCC2(O1)CN1CCC2CC1.Cl.Cl.O
Complexity: __
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Smiles:
CC1SCC2(O1)CN1CCC2CC1.CC1SCC2(O1)CN1CCC2CC1.Cl.Cl.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(c1ccc(cc1)OCCCc1nc[nH]c1)C1CC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)OCCCc1nc[nH]c1)C1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__