AB52530
536-71-0 | 4,4'-(Triaz-1-ene-1,3-diyl)dibenzimidamide
Manufacturer: A2B Chem
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CatalogNumber
AB52530
ChemicalName
4,4'-(Triaz-1-ene-1,3-diyl)dibenzimidamide
CasNumber
536-71-0
MolecularFormula
C14H15N7
MolecularWeight
281.3158
MdlNumber
MFCD00866606
Smiles
NC(=N)c1ccc(cc1)N/N=N/c1ccc(cc1)C(=N)N
Complexity
390
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
5
RotatableBondCount
5
Xlogp3
1.9
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CatalogNumber: AB52530
ChemicalName: 4,4'-(Triaz-1-ene-1,3-diyl)dibenzimidamide
CasNumber: 536-71-0
MolecularFormula: C14H15N7
MolecularWeight: 281.3158
MdlNumber: MFCD00866606
Smiles: NC(=N)c1ccc(cc1)N/N=N/c1ccc(cc1)C(=N)N
Complexity: 390
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 5
RotatableBondCount: 5
Xlogp3: 1.9
CatalogNumber:
AB52530
ChemicalName:
4,4'-(Triaz-1-ene-1,3-diyl)dibenzimidamide
CasNumber:
536-71-0
MolecularFormula:
C14H15N7
MolecularWeight:
281.3158
MdlNumber:
MFCD00866606
Smiles:
NC(=N)c1ccc(cc1)N/N=N/c1ccc(cc1)C(=N)N
Complexity:
390
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
5
RotatableBondCount:
5
Xlogp3:
1.9
CatalogNumber: AB52531
ChemicalName: Methyl 6-bromopyrazine-2-carboxylate
CasNumber: 40155-34-8
MolecularFormula: C6H5BrN2O2
MolecularWeight: 217.0201
MdlNumber: MFCD14155890
Smiles: COC(=O)c1cncc(n1)Br
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AB52531
ChemicalName:
Methyl 6-bromopyrazine-2-carboxylate
CasNumber:
40155-34-8
MolecularFormula:
C6H5BrN2O2
MolecularWeight:
217.0201
MdlNumber:
MFCD14155890
Smiles:
COC(=O)c1cncc(n1)Br
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@@H]1c1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@@H]1c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@H]1C(=C2O)C(=O)c2c([C@H]1O)c(Cl)ccc2O)O)O)C.Cl
Complexity: 961
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@H]1C(=C2O)C(=O)c2c([C@H]1O)c(Cl)ccc2O)O)O)C.Cl
Complexity:
961
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__