AA45495
129639-79-8 | Abafungin
Manufacturer: A2B Chem
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CatalogNumber
AA45495
ChemicalName
Abafungin
CasNumber
129639-79-8
MolecularFormula
C21H22N4OS
MolecularWeight
378.4906
MdlNumber
MFCD00942263
Smiles
Cc1ccc(c(c1)C)Oc1ccccc1c1csc(n1)NC1=NCCCN1
Complexity
516
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
4.3
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CatalogNumber: AA45495
ChemicalName: Abafungin
CasNumber: 129639-79-8
MolecularFormula: C21H22N4OS
MolecularWeight: 378.4906
MdlNumber: MFCD00942263
Smiles: Cc1ccc(c(c1)C)Oc1ccccc1c1csc(n1)NC1=NCCCN1
Complexity: 516
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 4.3
CatalogNumber:
AA45495
ChemicalName:
Abafungin
CasNumber:
129639-79-8
MolecularFormula:
C21H22N4OS
MolecularWeight:
378.4906
MdlNumber:
MFCD00942263
Smiles:
Cc1ccc(c(c1)C)Oc1ccccc1c1csc(n1)NC1=NCCCN1
Complexity:
516
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCc1ccccc1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCc1ccccc1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA45497
ChemicalName: 2-(N,N-Dimethylaminomethyl)phenylboronic acid, pinacol ester
CasNumber: 129636-11-9
MolecularFormula: C15H24BNO2
MolecularWeight: 261.1676
MdlNumber: MFCD09746201
Smiles: CN(Cc1ccccc1B1OC(C(O1)(C)C)(C)C)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AA45497
ChemicalName:
2-(N,N-Dimethylaminomethyl)phenylboronic acid, pinacol ester
CasNumber:
129636-11-9
MolecularFormula:
C15H24BNO2
MolecularWeight:
261.1676
MdlNumber:
MFCD09746201
Smiles:
CN(Cc1ccccc1B1OC(C(O1)(C)C)(C)C)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__