AA03302
1007207-67-1 | CH5132799
Manufacturer: A2B Chem
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CatalogNumber
AA03302
ChemicalName
CH5132799
CasNumber
1007207-67-1
MolecularFormula
C15H19N7O3S
MolecularWeight
377.4215
MdlNumber
MFCD22419020
Smiles
Nc1ncc(cn1)c1nc(nc2c1CCN2S(=O)(=O)C)N1CCOCC1
Complexity
587
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.6
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CatalogNumber: AA03302
ChemicalName: CH5132799
CasNumber: 1007207-67-1
MolecularFormula: C15H19N7O3S
MolecularWeight: 377.4215
MdlNumber: MFCD22419020
Smiles: Nc1ncc(cn1)c1nc(nc2c1CCN2S(=O)(=O)C)N1CCOCC1
Complexity: 587
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.6
CatalogNumber:
AA03302
ChemicalName:
CH5132799
CasNumber:
1007207-67-1
MolecularFormula:
C15H19N7O3S
MolecularWeight:
377.4215
MdlNumber:
MFCD22419020
Smiles:
Nc1ncc(cn1)c1nc(nc2c1CCN2S(=O)(=O)C)N1CCOCC1
Complexity:
587
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.6
CatalogNumber: AA03303
ChemicalName: 1H-Benzimidazole-5-boronic acid, pinacol ester
CasNumber: 1007206-54-3
MolecularFormula: C13H17BN2O2
MolecularWeight: 244.0973
MdlNumber: MFCD11054041
Smiles: CC1(C)OB(OC1(C)C)c1ccc2c(c1)[nH]cn2
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AA03303
ChemicalName:
1H-Benzimidazole-5-boronic acid, pinacol ester
CasNumber:
1007206-54-3
MolecularFormula:
C13H17BN2O2
MolecularWeight:
244.0973
MdlNumber:
MFCD11054041
Smiles:
CC1(C)OB(OC1(C)C)c1ccc2c(c1)[nH]cn2
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCCc1c(Cl)nc(nc1Cl)N1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCc1c(Cl)nc(nc1Cl)N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1nc(Cl)nc(c1C=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1nc(Cl)nc(c1C=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__