AI35910
1445951-64-3 | tert-Butyl 3-hydroxy-4,5,6,8-tetrahydropyrazolo[3,4-c]azepine-7(1h)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI35910
ChemicalName
tert-Butyl 3-hydroxy-4,5,6,8-tetrahydropyrazolo[3,4-c]azepine-7(1h)-carboxylate
CasNumber
1445951-64-3
MolecularFormula
C12H19N3O3
MolecularWeight
253.2976
MdlNumber
MFCD25509332
Smiles
O=C(N1CCCc2c(C1)[nH]nc2O)OC(C)(C)C
Complexity
409
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AI35910
ChemicalName: tert-Butyl 3-hydroxy-4,5,6,8-tetrahydropyrazolo[3,4-c]azepine-7(1h)-carboxylate
CasNumber: 1445951-64-3
MolecularFormula: C12H19N3O3
MolecularWeight: 253.2976
MdlNumber: MFCD25509332
Smiles: O=C(N1CCCc2c(C1)[nH]nc2O)OC(C)(C)C
Complexity: 409
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AI35910
ChemicalName:
tert-Butyl 3-hydroxy-4,5,6,8-tetrahydropyrazolo[3,4-c]azepine-7(1h)-carboxylate
CasNumber:
1445951-64-3
MolecularFormula:
C12H19N3O3
MolecularWeight:
253.2976
MdlNumber:
MFCD25509332
Smiles:
O=C(N1CCCc2c(C1)[nH]nc2O)OC(C)(C)C
Complexity:
409
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCCC2(CN1)CCCN(CCC2)Cc1ccccc1
Complexity: 286
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
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MolecularFormula:
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MolecularWeight:
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Smiles:
C1CCCC2(CN1)CCCN(CCC2)Cc1ccccc1
Complexity:
286
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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MdlNumber: __
Smiles: OCCC1CC21CCNCC2
Complexity: __
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Smiles:
OCCC1CC21CCNCC2
Complexity:
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__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OC[C@]12COC[C@@H]2CN(C1)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC[C@]12COC[C@@H]2CN(C1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__