AF00772
153982-44-6 | (S)-5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF00772
ChemicalName
(S)-5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CasNumber
153982-44-6
MolecularFormula
C12H17N3O4
MolecularWeight
267.2811
MdlNumber
MFCD12128739
Smiles
O=C(N1Cc2[nH]cnc2C[C@H]1C(=O)O)OC(C)(C)C
Complexity
380
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AF00772
ChemicalName: (S)-5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CasNumber: 153982-44-6
MolecularFormula: C12H17N3O4
MolecularWeight: 267.2811
MdlNumber: MFCD12128739
Smiles: O=C(N1Cc2[nH]cnc2C[C@H]1C(=O)O)OC(C)(C)C
Complexity: 380
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AF00772
ChemicalName:
(S)-5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CasNumber:
153982-44-6
MolecularFormula:
C12H17N3O4
MolecularWeight:
267.2811
MdlNumber:
MFCD12128739
Smiles:
O=C(N1Cc2[nH]cnc2C[C@H]1C(=O)O)OC(C)(C)C
Complexity:
380
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: AF00775
ChemicalName: 2-Fluoro-4-nitro-1-(trifluoromethoxy)benzene
CasNumber: 190902-95-5
MolecularFormula: C7H3F4NO3
MolecularWeight: 225.0972
MdlNumber: MFCD13194451
Smiles: Fc1cc(ccc1OC(F)(F)F)[N+](=O)[O-]
Complexity: 239
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AF00775
ChemicalName:
2-Fluoro-4-nitro-1-(trifluoromethoxy)benzene
CasNumber:
190902-95-5
MolecularFormula:
C7H3F4NO3
MolecularWeight:
225.0972
MdlNumber:
MFCD13194451
Smiles:
Fc1cc(ccc1OC(F)(F)F)[N+](=O)[O-]
Complexity:
239
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AF00776
ChemicalName: N-Ethyl-2-nitro-5-propoxyaniline
CasNumber: 1445322-48-4
MolecularFormula: C11H16N2O3
MolecularWeight: 224.2563
MdlNumber: MFCD25121747
Smiles: CCCOc1ccc(c(c1)NCC)[N+](=O)[O-]
Complexity: 218
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.5
CatalogNumber:
AF00776
ChemicalName:
N-Ethyl-2-nitro-5-propoxyaniline
CasNumber:
1445322-48-4
MolecularFormula:
C11H16N2O3
MolecularWeight:
224.2563
MdlNumber:
MFCD25121747
Smiles:
CCCOc1ccc(c(c1)NCC)[N+](=O)[O-]
Complexity:
218
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCN1CCN(CC1)c1ccc(cc1)C#N
Complexity: 252
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCN1CCN(CC1)c1ccc(cc1)C#N
Complexity:
252
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9