AI46701
29608-49-9 | 6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-N,4-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine; bis(methanesulfonic acid)
Manufacturer: A2B Chem
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CatalogNumber
AI46701
ChemicalName
6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-N,4-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine; bis(methanesulfonic acid)
CasNumber
29608-49-9
MolecularFormula
C28H37F2N7O6S2
MolecularWeight
669.7635
MdlNumber
MFCD01679060
Smiles
CS(=O)(=O)O.CS(=O)(=O)O.C=CCNc1nc(nc(n1)NCC=C)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
Complexity
694
Covalently-bondedUnitCount
3
HeavyAtomCount
45
HydrogenBondAcceptorCount
15
HydrogenBondDonorCount
4
RotatableBondCount
10
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CatalogNumber: AI46701
ChemicalName: 6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-N,4-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine; bis(methanesulfonic acid)
CasNumber: 29608-49-9
MolecularFormula: C28H37F2N7O6S2
MolecularWeight: 669.7635
MdlNumber: MFCD01679060
Smiles: CS(=O)(=O)O.CS(=O)(=O)O.C=CCNc1nc(nc(n1)NCC=C)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
Complexity: 694
Covalently-bondedUnitCount: 3
HeavyAtomCount: 45
HydrogenBondAcceptorCount: 15
HydrogenBondDonorCount: 4
RotatableBondCount: 10
CatalogNumber:
AI46701
ChemicalName:
6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-N,4-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine; bis(methanesulfonic acid)
CasNumber:
29608-49-9
MolecularFormula:
C28H37F2N7O6S2
MolecularWeight:
669.7635
MdlNumber:
MFCD01679060
Smiles:
CS(=O)(=O)O.CS(=O)(=O)O.C=CCNc1nc(nc(n1)NCC=C)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
Complexity:
694
Covalently-bondedUnitCount:
3
HeavyAtomCount:
45
HydrogenBondAcceptorCount:
15
HydrogenBondDonorCount:
4
RotatableBondCount:
10
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Smiles: Nc1nonc1c1[n+]([O-])onc1c1nonc1N
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Nc1nonc1c1[n+]([O-])onc1c1nonc1N
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Smiles: COc1ccc(cc1S(=O)(=O)N1CCOCC1)/C=C/C(=O)O
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COc1ccc(cc1S(=O)(=O)N1CCOCC1)/C=C/C(=O)O
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Smiles: Cc1ccc2c(c1)c1ncnc(c1[nH]2)O
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Cc1ccc2c(c1)c1ncnc(c1[nH]2)O
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HydrogenBondAcceptorCount:
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