AI35858
1445950-86-6 | Cis-Benzyl 5-Oxohexahydropyrrolo[3,2-B]Pyrrole-1(2H)-Carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI35858
ChemicalName
Cis-Benzyl 5-Oxohexahydropyrrolo[3,2-B]Pyrrole-1(2H)-Carboxylate
CasNumber
1445950-86-6
MolecularFormula
C14H16N2O3
MolecularWeight
260.2884400000001
MdlNumber
MFCD25509390
Smiles
O=C1N[C@H]2[C@@H](C1)N(CC2)C(=O)OCc1ccccc1
Complexity
366
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.9
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CatalogNumber: AI35858
ChemicalName: Cis-Benzyl 5-Oxohexahydropyrrolo[3,2-B]Pyrrole-1(2H)-Carboxylate
CasNumber: 1445950-86-6
MolecularFormula: C14H16N2O3
MolecularWeight: 260.2884400000001
MdlNumber: MFCD25509390
Smiles: O=C1N[C@H]2[C@@H](C1)N(CC2)C(=O)OCc1ccccc1
Complexity: 366
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.9
CatalogNumber:
AI35858
ChemicalName:
Cis-Benzyl 5-Oxohexahydropyrrolo[3,2-B]Pyrrole-1(2H)-Carboxylate
CasNumber:
1445950-86-6
MolecularFormula:
C14H16N2O3
MolecularWeight:
260.2884400000001
MdlNumber:
MFCD25509390
Smiles:
O=C1N[C@H]2[C@@H](C1)N(CC2)C(=O)OCc1ccccc1
Complexity:
366
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.9
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Smiles: CCOC(=O)C1CN(CC2(C1=O)CCN(CC2)Cc1ccccc1)C(=O)OC(C)(C)C
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Smiles:
CCOC(=O)C1CN(CC2(C1=O)CCN(CC2)Cc1ccccc1)C(=O)OC(C)(C)C
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Smiles: ICC1CCCC2(O1)CCN(C2)C(=O)OC(C)(C)C
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Smiles:
ICC1CCCC2(O1)CCN(C2)C(=O)OC(C)(C)C
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Smiles: OCC1CCCC21CCN(C2)C(=O)OC(C)(C)C
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OCC1CCCC21CCN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__