AA62332
14029-71-1 | 1,3-Diethyl 2-{[(pyridin-3-yl)amino]methylidene}propanedioate
Manufacturer: A2B Chem
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CatalogNumber
AA62332
ChemicalName
1,3-Diethyl 2-{[(pyridin-3-yl)amino]methylidene}propanedioate
CasNumber
14029-71-1
MolecularFormula
C13H16N2O4
MolecularWeight
264.2771
MdlNumber
MFCD00487270
Smiles
CCOC(=O)C(=CNc1cccnc1)C(=O)OCC
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
2.2
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CatalogNumber: AA62332
ChemicalName: 1,3-Diethyl 2-{[(pyridin-3-yl)amino]methylidene}propanedioate
CasNumber: 14029-71-1
MolecularFormula: C13H16N2O4
MolecularWeight: 264.2771
MdlNumber: MFCD00487270
Smiles: CCOC(=O)C(=CNc1cccnc1)C(=O)OCC
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 2.2
CatalogNumber:
AA62332
ChemicalName:
1,3-Diethyl 2-{[(pyridin-3-yl)amino]methylidene}propanedioate
CasNumber:
14029-71-1
MolecularFormula:
C13H16N2O4
MolecularWeight:
264.2771
MdlNumber:
MFCD00487270
Smiles:
CCOC(=O)C(=CNc1cccnc1)C(=O)OCC
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
2.2
CatalogNumber: __
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Smiles: CNC1C(O)C(OCC1(C)O)OC1C(N)CC(C(C1O)OC1OC(CCC1N)C(N)C)N.CNC(C1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N)C.NCC1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N
Complexity: __
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Smiles:
CNC1C(O)C(OCC1(C)O)OC1C(N)CC(C(C1O)OC1OC(CCC1N)C(N)C)N.CNC(C1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N)C.NCC1CCC(C(O1)OC1C(N)CC(C(C1O)OC1OCC(C(C1O)NC)(C)O)N)N
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Smiles: CCOC(=O)c1cccc2c1n(Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(n2)OCC
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Smiles:
CCOC(=O)c1cccc2c1n(Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(n2)OCC
Complexity:
__
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Smiles: NCc1cccc(c1)c1nocc1
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Smiles:
NCc1cccc(c1)c1nocc1
Complexity:
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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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