AA39636
130641-38-2 | Bindarit
Manufacturer: A2B Chem
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CatalogNumber
AA39636
ChemicalName
Bindarit
CasNumber
130641-38-2
MolecularFormula
C19H20N2O3
MolecularWeight
324.3737
MdlNumber
MFCD00866723
Smiles
OC(=O)C(OCc1nn(c2c1cccc2)Cc1ccccc1)(C)C
Complexity
434
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
3
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CatalogNumber: AA39636
ChemicalName: Bindarit
CasNumber: 130641-38-2
MolecularFormula: C19H20N2O3
MolecularWeight: 324.3737
MdlNumber: MFCD00866723
Smiles: OC(=O)C(OCc1nn(c2c1cccc2)Cc1ccccc1)(C)C
Complexity: 434
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 3
CatalogNumber:
AA39636
ChemicalName:
Bindarit
CasNumber:
130641-38-2
MolecularFormula:
C19H20N2O3
MolecularWeight:
324.3737
MdlNumber:
MFCD00866723
Smiles:
OC(=O)C(OCc1nn(c2c1cccc2)Cc1ccccc1)(C)C
Complexity:
434
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
3
CatalogNumber: AA39637
ChemicalName: 4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber: 130636-61-2
MolecularFormula: C16H23N3O4
MolecularWeight: 321.3715
MdlNumber: MFCD03407491
Smiles: O=C(N1CCN(CC1)Cc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity: 414
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AA39637
ChemicalName:
4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester
CasNumber:
130636-61-2
MolecularFormula:
C16H23N3O4
MolecularWeight:
321.3715
MdlNumber:
MFCD03407491
Smiles:
O=C(N1CCN(CC1)Cc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity:
414
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: AA39638
ChemicalName: tert-Butyl 4-[2-(4-nitrophenyl)ethyl]piperazine-1-carboxylate
CasNumber: 130636-60-1
MolecularFormula: C17H25N3O4
MolecularWeight: 335.3981
MdlNumber: MFCD12963748
Smiles: O=C(N1CCN(CC1)CCc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity: 428
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AA39638
ChemicalName:
tert-Butyl 4-[2-(4-nitrophenyl)ethyl]piperazine-1-carboxylate
CasNumber:
130636-60-1
MolecularFormula:
C17H25N3O4
MolecularWeight:
335.3981
MdlNumber:
MFCD12963748
Smiles:
O=C(N1CCN(CC1)CCc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity:
428
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc2c1c(O)ccn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1cccc2c1c(O)ccn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__