AV18688
254744-55-3 | 3-(4-Bromo-3-[1,3]dioxolan-2-yl-benzyl)-2-butyl-1,3-diaza-spiro[4.4]non-1-en-4-one
Manufacturer: A2B Chem
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CatalogNumber
AV18688
ChemicalName
3-(4-Bromo-3-[1,3]dioxolan-2-yl-benzyl)-2-butyl-1,3-diaza-spiro[4.4]non-1-en-4-one
CasNumber
254744-55-3
MolecularFormula
C21H27BrN2O3
MolecularWeight
435.3547
MdlNumber
MFCD20270118
Smiles
CCCCC1=NC2(C(=O)N1Cc1ccc(c(c1)C1OCCO1)Br)CCCC2
Complexity
570
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
3.4
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CatalogNumber: AV18688
ChemicalName: 3-(4-Bromo-3-[1,3]dioxolan-2-yl-benzyl)-2-butyl-1,3-diaza-spiro[4.4]non-1-en-4-one
CasNumber: 254744-55-3
MolecularFormula: C21H27BrN2O3
MolecularWeight: 435.3547
MdlNumber: MFCD20270118
Smiles: CCCCC1=NC2(C(=O)N1Cc1ccc(c(c1)C1OCCO1)Br)CCCC2
Complexity: 570
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 3.4
CatalogNumber:
AV18688
ChemicalName:
3-(4-Bromo-3-[1,3]dioxolan-2-yl-benzyl)-2-butyl-1,3-diaza-spiro[4.4]non-1-en-4-one
CasNumber:
254744-55-3
MolecularFormula:
C21H27BrN2O3
MolecularWeight:
435.3547
MdlNumber:
MFCD20270118
Smiles:
CCCCC1=NC2(C(=O)N1Cc1ccc(c(c1)C1OCCO1)Br)CCCC2
Complexity:
570
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
3.4
CatalogNumber: AV18689
ChemicalName: 2-Benzyl 5-tert-butyl 3a-(hydroxymethyl)tetrahydropyrrolo[3,4-c]pyrrole-2,5(1H,3H)-dicarboxylate
CasNumber: 1823269-90-4
MolecularFormula: C20H28N2O5
MolecularWeight: 376.4467
MdlNumber: MFCD27997327
Smiles: OCC12CN(CC2CN(C1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity: 555
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: 1.7
CatalogNumber:
AV18689
ChemicalName:
2-Benzyl 5-tert-butyl 3a-(hydroxymethyl)tetrahydropyrrolo[3,4-c]pyrrole-2,5(1H,3H)-dicarboxylate
CasNumber:
1823269-90-4
MolecularFormula:
C20H28N2O5
MolecularWeight:
376.4467
MdlNumber:
MFCD27997327
Smiles:
OCC12CN(CC2CN(C1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Complexity:
555
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
1.7
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Smiles: Cc1ccc(cc1)S(=O)(=O)O[C@H]1CC2C([C@@]1(C)CC2)(C)C
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Smiles:
Cc1ccc(cc1)S(=O)(=O)O[C@H]1CC2C([C@@]1(C)CC2)(C)C
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Smiles: Cc1ncsc1CCN.Cl.Cl
Complexity: 87.1
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Smiles:
Cc1ncsc1CCN.Cl.Cl
Complexity:
87.1
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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