AB53166
23787-90-8 | 1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
Manufacturer: A2B Chem
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CatalogNumber
AB53166
ChemicalName
1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
CasNumber
23787-90-8
MolecularFormula
C15H24O
MolecularWeight
220.3505
MdlNumber
MFCD26940170
Smiles
O=C1CCC(C23C1C(C)(C)C(C3)CC2)(C)C
Complexity
352
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
1
UndefinedAtomStereocenterCount
3
Xlogp3
4
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CatalogNumber: AB53166
ChemicalName: 1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
CasNumber: 23787-90-8
MolecularFormula: C15H24O
MolecularWeight: 220.3505
MdlNumber: MFCD26940170
Smiles: O=C1CCC(C23C1C(C)(C)C(C3)CC2)(C)C
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
UndefinedAtomStereocenterCount: 3
Xlogp3: 4
CatalogNumber:
AB53166
ChemicalName:
1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
CasNumber:
23787-90-8
MolecularFormula:
C15H24O
MolecularWeight:
220.3505
MdlNumber:
MFCD26940170
Smiles:
O=C1CCC(C23C1C(C)(C)C(C3)CC2)(C)C
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
UndefinedAtomStereocenterCount:
3
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21)C(=O)C
Complexity: 984
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21)C(=O)C
Complexity:
984
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.5
CatalogNumber: AB53168
ChemicalName: EW 7197
CasNumber: 1352608-82-2
MolecularFormula: C22H18FN7
MolecularWeight: 399.4236232
MdlNumber: MFCD28348363
Smiles: Cc1cccc(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1ccccc1F
Complexity: 566
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: 3.2
CatalogNumber:
AB53168
ChemicalName:
EW 7197
CasNumber:
1352608-82-2
MolecularFormula:
C22H18FN7
MolecularWeight:
399.4236232
MdlNumber:
MFCD28348363
Smiles:
Cc1cccc(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1ccccc1F
Complexity:
566
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)([O-])[O-])[O-])O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O.[Na+].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1[C@@H](COP(=O)(OP(=O)([O-])[O-])[O-])O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O.[Na+].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__