AA92242
173952-44-8 | Sym2206
Manufacturer: A2B Chem
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CatalogNumber
AA92242
ChemicalName
Sym2206
CasNumber
173952-44-8
MolecularFormula
C20H22N4O3
MolecularWeight
366.41368
MdlNumber
MFCD00946571
Smiles
CCCNC(=O)N1N=C(c2ccc(cc2)N)c2c(C1C)cc1c(c2)OCO1
Complexity
576
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3
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CatalogNumber: AA92242
ChemicalName: Sym2206
CasNumber: 173952-44-8
MolecularFormula: C20H22N4O3
MolecularWeight: 366.41368
MdlNumber: MFCD00946571
Smiles: CCCNC(=O)N1N=C(c2ccc(cc2)N)c2c(C1C)cc1c(c2)OCO1
Complexity: 576
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3
CatalogNumber:
AA92242
ChemicalName:
Sym2206
CasNumber:
173952-44-8
MolecularFormula:
C20H22N4O3
MolecularWeight:
366.41368
MdlNumber:
MFCD00946571
Smiles:
CCCNC(=O)N1N=C(c2ccc(cc2)N)c2c(C1C)cc1c(c2)OCO1
Complexity:
576
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@]1(C)CCCc2c1ccc1-c3occ(c3C(=O)C(=O)c21)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@]1(C)CCCc2c1ccc1-c3occ(c3C(=O)C(=O)c21)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc2c(c1)oc(=O)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc2c(c1)oc(=O)cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1ccc2c(o1)cc(cc2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1ccc2c(o1)cc(cc2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__