AE61134
1245645-41-3 | tert-Butyl 4-(2-isopropyl-2H-tetrazol-5-yl)piperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE61134
ChemicalName
tert-Butyl 4-(2-isopropyl-2H-tetrazol-5-yl)piperazine-1-carboxylate
CasNumber
1245645-41-3
MolecularFormula
C13H24N6O2
MolecularWeight
296.3687
MdlNumber
MFCD12911422
Smiles
O=C(N1CCN(CC1)c1nnn(n1)C(C)C)OC(C)(C)C
Complexity
362
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
RotatableBondCount
4
Xlogp3
1.9
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CatalogNumber: AE61134
ChemicalName: tert-Butyl 4-(2-isopropyl-2H-tetrazol-5-yl)piperazine-1-carboxylate
CasNumber: 1245645-41-3
MolecularFormula: C13H24N6O2
MolecularWeight: 296.3687
MdlNumber: MFCD12911422
Smiles: O=C(N1CCN(CC1)c1nnn(n1)C(C)C)OC(C)(C)C
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AE61134
ChemicalName:
tert-Butyl 4-(2-isopropyl-2H-tetrazol-5-yl)piperazine-1-carboxylate
CasNumber:
1245645-41-3
MolecularFormula:
C13H24N6O2
MolecularWeight:
296.3687
MdlNumber:
MFCD12911422
Smiles:
O=C(N1CCN(CC1)c1nnn(n1)C(C)C)OC(C)(C)C
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
1.9
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Smiles: Nc1ccc2c(c1)N(CC2(C)C)C(=O)C.Cl
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Nc1ccc2c(c1)N(CC2(C)C)C(=O)C.Cl
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Smiles: O=C(N[C@@H]1[C@@H]2C=C[C@H]([C@@H]1C(=O)O)C2)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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MolecularWeight:
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Smiles:
O=C(N[C@@H]1[C@@H]2C=C[C@H]([C@@H]1C(=O)O)C2)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)O)C2)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)O)C2)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__