AH15223
718632-44-1 | Pyrrolo[3,4-c]pyrazole-5(4h)-carboxylic acid, 3-amino-2,6-dihydro-6,6-dimethyl-, 1,1-dimethylethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AH15223
ChemicalName
Pyrrolo[3,4-c]pyrazole-5(4h)-carboxylic acid, 3-amino-2,6-dihydro-6,6-dimethyl-, 1,1-dimethylethyl ester
CasNumber
718632-44-1
MolecularFormula
C12H20N4O2
MolecularWeight
252.3128
MdlNumber
MFCD12031273
Smiles
O=C(N1Cc2c(C1(C)C)[nH][nH]c2=N)OC(C)(C)C
Complexity
351
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AH15223
ChemicalName: Pyrrolo[3,4-c]pyrazole-5(4h)-carboxylic acid, 3-amino-2,6-dihydro-6,6-dimethyl-, 1,1-dimethylethyl ester
CasNumber: 718632-44-1
MolecularFormula: C12H20N4O2
MolecularWeight: 252.3128
MdlNumber: MFCD12031273
Smiles: O=C(N1Cc2c(C1(C)C)[nH][nH]c2=N)OC(C)(C)C
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AH15223
ChemicalName:
Pyrrolo[3,4-c]pyrazole-5(4h)-carboxylic acid, 3-amino-2,6-dihydro-6,6-dimethyl-, 1,1-dimethylethyl ester
CasNumber:
718632-44-1
MolecularFormula:
C12H20N4O2
MolecularWeight:
252.3128
MdlNumber:
MFCD12031273
Smiles:
O=C(N1Cc2c(C1(C)C)[nH][nH]c2=N)OC(C)(C)C
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.7
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Smiles: Brc1ccc2c(c1)c(Cl)c(cn2)[N+](=O)[O-]
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Smiles:
Brc1ccc2c(c1)c(Cl)c(cn2)[N+](=O)[O-]
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Smiles: COc1ccc(c(c1C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C)F)F
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Smiles:
COc1ccc(c(c1C(=O)c1cnc(nc1N)NC1CCN(CC1)S(=O)(=O)C)F)F
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Smiles: CS(=O)(=O)O.Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2
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Smiles:
CS(=O)(=O)O.Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2
Complexity:
__
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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