AA09885
1025720-94-8 | BMS-777607
Manufacturer: A2B Chem
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CatalogNumber
AA09885
ChemicalName
BMS-777607
CasNumber
1025720-94-8
MolecularFormula
C25H19ClF2N4O4
MolecularWeight
512.8926
MdlNumber
MFCD16495773
Smiles
CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F
Complexity
867
Covalently-bondedUnitCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
4
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CatalogNumber: AA09885
ChemicalName: BMS-777607
CasNumber: 1025720-94-8
MolecularFormula: C25H19ClF2N4O4
MolecularWeight: 512.8926
MdlNumber: MFCD16495773
Smiles: CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F
Complexity: 867
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 4
CatalogNumber:
AA09885
ChemicalName:
BMS-777607
CasNumber:
1025720-94-8
MolecularFormula:
C25H19ClF2N4O4
MolecularWeight:
512.8926
MdlNumber:
MFCD16495773
Smiles:
CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F
Complexity:
867
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cc(cc(c1)C(C)C)B1OC(C(O1)(C)C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cc(cc(c1)C(C)C)B1OC(C(O1)(C)C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA09887
ChemicalName: 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester
CasNumber: 1025719-23-6
MolecularFormula: C11H16BF3N2O2
MolecularWeight: 276.0631
MdlNumber: MFCD12828677
Smiles: FC(c1cc(n(n1)C)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity: 346
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AA09887
ChemicalName:
1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester
CasNumber:
1025719-23-6
MolecularFormula:
C11H16BF3N2O2
MolecularWeight:
276.0631
MdlNumber:
MFCD12828677
Smiles:
FC(c1cc(n(n1)C)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity:
346
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nc2c(o1)c(ccc2)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nc2c(o1)c(ccc2)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__