AB74736
53671-71-9 | Ici 89406
Manufacturer: A2B Chem
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CatalogNumber
AB74736
ChemicalName
Ici 89406
CasNumber
53671-71-9
MolecularFormula
C19H22N4O3
MolecularWeight
354.403
MdlNumber
MFCD00673934
Smiles
N#Cc1ccccc1OCC(CNCCNC(=O)Nc1ccccc1)O
Complexity
459
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
4
RotatableBondCount
9
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AB74736
ChemicalName: Ici 89406
CasNumber: 53671-71-9
MolecularFormula: C19H22N4O3
MolecularWeight: 354.403
MdlNumber: MFCD00673934
Smiles: N#Cc1ccccc1OCC(CNCCNC(=O)Nc1ccccc1)O
Complexity: 459
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AB74736
ChemicalName:
Ici 89406
CasNumber:
53671-71-9
MolecularFormula:
C19H22N4O3
MolecularWeight:
354.403
MdlNumber:
MFCD00673934
Smiles:
N#Cc1ccccc1OCC(CNCCNC(=O)Nc1ccccc1)O
Complexity:
459
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cc1)C[N+]1([O-])CC[N+](CC1)([O-])C)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C
Complexity: 800
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)C[N+]1([O-])CC[N+](CC1)([O-])C)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C
Complexity:
800
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: AB74738
ChemicalName: Imidazo[1,2-a]pyrazine
CasNumber: 274-79-3
MolecularFormula: C6H5N3
MolecularWeight: 119.124
MdlNumber: MFCD06245371
Smiles: n1ccn2c(c1)ncc2
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.7
CatalogNumber:
AB74738
ChemicalName:
Imidazo[1,2-a]pyrazine
CasNumber:
274-79-3
MolecularFormula:
C6H5N3
MolecularWeight:
119.124
MdlNumber:
MFCD06245371
Smiles:
n1ccn2c(c1)ncc2
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.7
CatalogNumber: AB74739
ChemicalName: Imidazo[1,2-a]pyrazine-2-carboxylic acid
CasNumber: 77112-53-9
MolecularFormula: C7H5N3O2
MolecularWeight: 163.1335
MdlNumber: MFCD08460077
Smiles: OC(=O)c1cn2c(n1)cncc2
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.6
CatalogNumber:
AB74739
ChemicalName:
Imidazo[1,2-a]pyrazine-2-carboxylic acid
CasNumber:
77112-53-9
MolecularFormula:
C7H5N3O2
MolecularWeight:
163.1335
MdlNumber:
MFCD08460077
Smiles:
OC(=O)c1cn2c(n1)cncc2
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.6