AA30735
1255574-57-2 | 3-(Methoxycarbonyl)-5-((4-nitrobenzyloxy)carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA30735
ChemicalName
3-(Methoxycarbonyl)-5-((4-nitrobenzyloxy)carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CasNumber
1255574-57-2
MolecularFormula
C17H15N4O8
MolecularWeight
403.323
MdlNumber
MFCD17214273
Smiles
COC(=O)c1c2CN(CCn2nc1C(=O)[O-])C(=O)OCc1ccc(cc1)[N+](=O)[O-]
Complexity
660
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
0.7
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CatalogNumber: AA30735
ChemicalName: 3-(Methoxycarbonyl)-5-((4-nitrobenzyloxy)carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CasNumber: 1255574-57-2
MolecularFormula: C17H15N4O8
MolecularWeight: 403.323
MdlNumber: MFCD17214273
Smiles: COC(=O)c1c2CN(CCn2nc1C(=O)[O-])C(=O)OCc1ccc(cc1)[N+](=O)[O-]
Complexity: 660
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 0.7
CatalogNumber:
AA30735
ChemicalName:
3-(Methoxycarbonyl)-5-((4-nitrobenzyloxy)carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CasNumber:
1255574-57-2
MolecularFormula:
C17H15N4O8
MolecularWeight:
403.323
MdlNumber:
MFCD17214273
Smiles:
COC(=O)c1c2CN(CCn2nc1C(=O)[O-])C(=O)OCc1ccc(cc1)[N+](=O)[O-]
Complexity:
660
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCC(c1ccccc1)(NC(=O)OC(C)(C)C)C
Complexity: 292
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
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Smiles:
OCCC(c1ccccc1)(NC(=O)OC(C)(C)C)C
Complexity:
292
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
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Smiles: O=C(ON1C(=O)CCC1=O)CCCCCNC(=O)C1CCC(CC1)CN1C(=O)C=CC1=O
Complexity: __
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Smiles:
O=C(ON1C(=O)CCC1=O)CCCCCNC(=O)C1CCC(CC1)CN1C(=O)C=CC1=O
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: COC(=O)C1CN(CC(C1)(F)F)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CN(CC(C1)(F)F)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__