AC25335
86604-37-7 | 2-Amino-4-(4-methylphenyl)-3-thiophenecarbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AC25335
ChemicalName
2-Amino-4-(4-methylphenyl)-3-thiophenecarbonitrile
CasNumber
86604-37-7
MolecularFormula
C12H10N2S
MolecularWeight
214.2862
MdlNumber
MFCD02854965
Smiles
N#Cc1c(N)scc1c1ccc(cc1)C
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.5
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CatalogNumber: AC25335
ChemicalName: 2-Amino-4-(4-methylphenyl)-3-thiophenecarbonitrile
CasNumber: 86604-37-7
MolecularFormula: C12H10N2S
MolecularWeight: 214.2862
MdlNumber: MFCD02854965
Smiles: N#Cc1c(N)scc1c1ccc(cc1)C
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AC25335
ChemicalName:
2-Amino-4-(4-methylphenyl)-3-thiophenecarbonitrile
CasNumber:
86604-37-7
MolecularFormula:
C12H10N2S
MolecularWeight:
214.2862
MdlNumber:
MFCD02854965
Smiles:
N#Cc1c(N)scc1c1ccc(cc1)C
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.5
CatalogNumber: AC25337
ChemicalName: 1'-Boc-5-fluoro-1,2-dihydro-2-oxo-spiro[3h-indole-3,4'-piperidine]
CasNumber: 866028-06-0
MolecularFormula: C17H21FN2O3
MolecularWeight: 320.3586
MdlNumber: MFCD10566054
Smiles: Fc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)N2
Complexity: 495
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AC25337
ChemicalName:
1'-Boc-5-fluoro-1,2-dihydro-2-oxo-spiro[3h-indole-3,4'-piperidine]
CasNumber:
866028-06-0
MolecularFormula:
C17H21FN2O3
MolecularWeight:
320.3586
MdlNumber:
MFCD10566054
Smiles:
Fc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)N2
Complexity:
495
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
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Smiles: CCOC(=O)C(Oc1ccccc1C=O)CC
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CCOC(=O)C(Oc1ccccc1C=O)CC
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Smiles: Nc1ccc2c(c1)c(ccc2)S(=O)(=O)O
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Smiles:
Nc1ccc2c(c1)c(ccc2)S(=O)(=O)O
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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