AA10303
1026853-23-5 | 5-tert-Butyl 3-ethyl 4,6-dihydropyrrolo[3,4-c]pyrazole-3,5(1h)-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA10303
ChemicalName
5-tert-Butyl 3-ethyl 4,6-dihydropyrrolo[3,4-c]pyrazole-3,5(1h)-dicarboxylate
CasNumber
1026853-23-5
MolecularFormula
C13H19N3O4
MolecularWeight
281.30765999999994
MdlNumber
MFCD12198788
Smiles
CCOC(=O)c1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C
Complexity
394
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.1
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CatalogNumber: AA10303
ChemicalName: 5-tert-Butyl 3-ethyl 4,6-dihydropyrrolo[3,4-c]pyrazole-3,5(1h)-dicarboxylate
CasNumber: 1026853-23-5
MolecularFormula: C13H19N3O4
MolecularWeight: 281.30765999999994
MdlNumber: MFCD12198788
Smiles: CCOC(=O)c1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C
Complexity: 394
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.1
CatalogNumber:
AA10303
ChemicalName:
5-tert-Butyl 3-ethyl 4,6-dihydropyrrolo[3,4-c]pyrazole-3,5(1h)-dicarboxylate
CasNumber:
1026853-23-5
MolecularFormula:
C13H19N3O4
MolecularWeight:
281.30765999999994
MdlNumber:
MFCD12198788
Smiles:
CCOC(=O)c1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C
Complexity:
394
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.1
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Smiles: OC(=O)c1cnc2n(c1Cl)ncc2
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Smiles:
OC(=O)c1cnc2n(c1Cl)ncc2
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Smiles: CCCCc1ncc([nH]1)O
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CCCCc1ncc([nH]1)O
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Smiles: Cl/C=C/C(F)(F)F
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CasNumber:
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Smiles:
Cl/C=C/C(F)(F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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