AA83255
1613724-42-7 | Hth-01-015
Manufacturer: A2B Chem
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CatalogNumber
AA83255
ChemicalName
Hth-01-015
CasNumber
1613724-42-7
MolecularFormula
C26H28N8O
MolecularWeight
468.5535
MdlNumber
MFCD28167816
Smiles
Cc1nc(Nc2cnn(c2)C2CCNCC2)nc2c1N(C)C(=O)c1c(N2C)cc2c(c1)cccc2
Complexity
762
Covalently-bondedUnitCount
1
HeavyAtomCount
35
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AA83255
ChemicalName: Hth-01-015
CasNumber: 1613724-42-7
MolecularFormula: C26H28N8O
MolecularWeight: 468.5535
MdlNumber: MFCD28167816
Smiles: Cc1nc(Nc2cnn(c2)C2CCNCC2)nc2c1N(C)C(=O)c1c(N2C)cc2c(c1)cccc2
Complexity: 762
Covalently-bondedUnitCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA83255
ChemicalName:
Hth-01-015
CasNumber:
1613724-42-7
MolecularFormula:
C26H28N8O
MolecularWeight:
468.5535
MdlNumber:
MFCD28167816
Smiles:
Cc1nc(Nc2cnn(c2)C2CCNCC2)nc2c1N(C)C(=O)c1c(N2C)cc2c(c1)cccc2
Complexity:
762
Covalently-bondedUnitCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1Nc2c(C1(F)F)cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1Nc2c(C1(F)F)cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2c(c1)nnc(c2N)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Fc1ccc2c(c1)nnc(c2N)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AA83275
ChemicalName: 3-(Difluoromethyl)aniline hydrochloride
CasNumber: 161363-34-4
MolecularFormula: C7H8ClF2N
MolecularWeight: 179.5949264
MdlNumber: MFCD16547606
Smiles: Nc1cccc(c1)C(F)F.Cl
Complexity: 106
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AA83275
ChemicalName:
3-(Difluoromethyl)aniline hydrochloride
CasNumber:
161363-34-4
MolecularFormula:
C7H8ClF2N
MolecularWeight:
179.5949264
MdlNumber:
MFCD16547606
Smiles:
Nc1cccc(c1)C(F)F.Cl
Complexity:
106
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__