AI46587
28860-33-5 | 1,4-Ditosyl-1,4-diazepan-6-ol
Manufacturer: A2B Chem
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CatalogNumber
AI46587
ChemicalName
1,4-Ditosyl-1,4-diazepan-6-ol
CasNumber
28860-33-5
MolecularFormula
C19H24N2O5S2
MolecularWeight
424.5343
MdlNumber
MFCD26940330
Smiles
OC1CN(CCN(C1)S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
Complexity
650
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.8
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CatalogNumber: AI46587
ChemicalName: 1,4-Ditosyl-1,4-diazepan-6-ol
CasNumber: 28860-33-5
MolecularFormula: C19H24N2O5S2
MolecularWeight: 424.5343
MdlNumber: MFCD26940330
Smiles: OC1CN(CCN(C1)S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
Complexity: 650
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AI46587
ChemicalName:
1,4-Ditosyl-1,4-diazepan-6-ol
CasNumber:
28860-33-5
MolecularFormula:
C19H24N2O5S2
MolecularWeight:
424.5343
MdlNumber:
MFCD26940330
Smiles:
OC1CN(CCN(C1)S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C
Complexity:
650
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.8
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Smiles: NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C
Complexity: __
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NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C
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Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)Cl)F
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CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)Cl)F
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Smiles: Fc1cnc(nc1NC1CCCCC1)Cl
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Smiles:
Fc1cnc(nc1NC1CCCCC1)Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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