AI34955
1422344-18-0 | 5-tert-butyl 3-ethyl 2-methyl-4H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI34955
ChemicalName
5-tert-butyl 3-ethyl 2-methyl-4H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxylate
CasNumber
1422344-18-0
MolecularFormula
C14H21N3O4
MolecularWeight
295.3342
MdlNumber
MFCD23378339
Smiles
CCOC(=O)c1n(C)nc2c1CN(C2)C(=O)OC(C)(C)C
Complexity
421
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
1.1
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CatalogNumber: AI34955
ChemicalName: 5-tert-butyl 3-ethyl 2-methyl-4H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxylate
CasNumber: 1422344-18-0
MolecularFormula: C14H21N3O4
MolecularWeight: 295.3342
MdlNumber: MFCD23378339
Smiles: CCOC(=O)c1n(C)nc2c1CN(C2)C(=O)OC(C)(C)C
Complexity: 421
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 1.1
CatalogNumber:
AI34955
ChemicalName:
5-tert-butyl 3-ethyl 2-methyl-4H,6H-pyrrolo[3,4-c]pyrazole-3,5-dicarboxylate
CasNumber:
1422344-18-0
MolecularFormula:
C14H21N3O4
MolecularWeight:
295.3342
MdlNumber:
MFCD23378339
Smiles:
CCOC(=O)c1n(C)nc2c1CN(C2)C(=O)OC(C)(C)C
Complexity:
421
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
1.1
CatalogNumber: AI34956
ChemicalName: 6,6-Difluoro-1,4-diazepane hbr salt
CasNumber: 1422344-19-1
MolecularFormula: C5H11BrF2N2
MolecularWeight: 217.055
MdlNumber: MFCD23378450
Smiles: FC1(F)CNCCNC1.Br
Complexity: 85
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI34956
ChemicalName:
6,6-Difluoro-1,4-diazepane hbr salt
CasNumber:
1422344-19-1
MolecularFormula:
C5H11BrF2N2
MolecularWeight:
217.055
MdlNumber:
MFCD23378450
Smiles:
FC1(F)CNCCNC1.Br
Complexity:
85
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CNCC(=O)N1Cc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CNCC(=O)N1Cc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI34958
ChemicalName: 3-Amino-1lambda(6)-thietane-1,1-dione hydrochloride
CasNumber: 1422344-24-8
MolecularFormula: C3H8ClNO2S
MolecularWeight: 157.61911999999998
MdlNumber: MFCD23144073
Smiles: NC1CS(=O)(=O)C1.Cl
Complexity: 142
Covalently-bondedUnitCount: 2
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI34958
ChemicalName:
3-Amino-1lambda(6)-thietane-1,1-dione hydrochloride
CasNumber:
1422344-24-8
MolecularFormula:
C3H8ClNO2S
MolecularWeight:
157.61911999999998
MdlNumber:
MFCD23144073
Smiles:
NC1CS(=O)(=O)C1.Cl
Complexity:
142
Covalently-bondedUnitCount:
2
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
__