AD32747
187235-37-6 | (6S)-2-nitro-6-{[4-(trifluoromethoxy)phenyl]methoxy}-5H,6H,7H-imidazo[2,1-b][1,3]oxazine
Manufacturer: A2B Chem
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CatalogNumber
AD32747
ChemicalName
(6S)-2-nitro-6-{[4-(trifluoromethoxy)phenyl]methoxy}-5H,6H,7H-imidazo[2,1-b][1,3]oxazine
CasNumber
187235-37-6
MolecularFormula
C14H12F3N3O5
MolecularWeight
359.2574
MdlNumber
MFCD06809939
Smiles
[O-][N+](=O)c1cn2c(n1)OC[C@H](C2)OCc1ccc(cc1)OC(F)(F)F
Complexity
468
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
9
RotatableBondCount
4
Xlogp3
2.8
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CatalogNumber: AD32747
ChemicalName: (6S)-2-nitro-6-{[4-(trifluoromethoxy)phenyl]methoxy}-5H,6H,7H-imidazo[2,1-b][1,3]oxazine
CasNumber: 187235-37-6
MolecularFormula: C14H12F3N3O5
MolecularWeight: 359.2574
MdlNumber: MFCD06809939
Smiles: [O-][N+](=O)c1cn2c(n1)OC[C@H](C2)OCc1ccc(cc1)OC(F)(F)F
Complexity: 468
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 9
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AD32747
ChemicalName:
(6S)-2-nitro-6-{[4-(trifluoromethoxy)phenyl]methoxy}-5H,6H,7H-imidazo[2,1-b][1,3]oxazine
CasNumber:
187235-37-6
MolecularFormula:
C14H12F3N3O5
MolecularWeight:
359.2574
MdlNumber:
MFCD06809939
Smiles:
[O-][N+](=O)c1cn2c(n1)OC[C@H](C2)OCc1ccc(cc1)OC(F)(F)F
Complexity:
468
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
9
RotatableBondCount:
4
Xlogp3:
2.8
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Smiles: O=C(c1nnc2c(c1N)cccc2F)NCCN1CCCC1
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Smiles:
O=C(c1nnc2c(c1N)cccc2F)NCCN1CCCC1
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Smiles: Fc1ccc2c(c1)nnc(c2N)C(=O)N1CCN(CC1)c1ccccn1
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Smiles:
Fc1ccc2c(c1)nnc(c2N)C(=O)N1CCN(CC1)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Fc1ccc2c(c1)nnc(c2N)C(=O)NCCN1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc2c(c1)nnc(c2N)C(=O)NCCN1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__