AG70169
61414-16-2 | 4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG70169
ChemicalName
4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid
CasNumber
61414-16-2
MolecularFormula
C24H15N3O6
MolecularWeight
441.3924
MdlNumber
MFCD04116314
Smiles
OC(=O)c1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
Complexity
602
Covalently-bondedUnitCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
3
RotatableBondCount
6
Xlogp3
3.5
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CatalogNumber: AG70169
ChemicalName: 4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid
CasNumber: 61414-16-2
MolecularFormula: C24H15N3O6
MolecularWeight: 441.3924
MdlNumber: MFCD04116314
Smiles: OC(=O)c1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
Complexity: 602
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 3
RotatableBondCount: 6
Xlogp3: 3.5
CatalogNumber:
AG70169
ChemicalName:
4,4',4''-(1,3,5-Triazine-2,4,6-triyl)tribenzoic acid
CasNumber:
61414-16-2
MolecularFormula:
C24H15N3O6
MolecularWeight:
441.3924
MdlNumber:
MFCD04116314
Smiles:
OC(=O)c1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
Complexity:
602
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
3
RotatableBondCount:
6
Xlogp3:
3.5
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Smiles: CCOC(=O)c1csc(n1)c1ccnc(c1)CC
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CCOC(=O)c1csc(n1)c1ccnc(c1)CC
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Smiles: CCOC(=O)c1cc(Br)ccc1N
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CCOC(=O)c1cc(Br)ccc1N
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Smiles: Cc1c(cccc1N)OCc1ccccc1
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Smiles:
Cc1c(cccc1N)OCc1ccccc1
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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