AB53248
3613-13-6 | 1-((2-(Diethylamino)ethyl)amino)-9-oxo-9H-thioxanthene-4-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB53248
ChemicalName
1-((2-(Diethylamino)ethyl)amino)-9-oxo-9H-thioxanthene-4-carbaldehyde
CasNumber
3613-13-6
MolecularFormula
C20H22N2O2S
MolecularWeight
354.4659
MdlNumber
MFCD20269509
Smiles
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C=O)CC
NscNumber
166367
Complexity
469
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
3
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CatalogNumber: AB53248
ChemicalName: 1-((2-(Diethylamino)ethyl)amino)-9-oxo-9H-thioxanthene-4-carbaldehyde
CasNumber: 3613-13-6
MolecularFormula: C20H22N2O2S
MolecularWeight: 354.4659
MdlNumber: MFCD20269509
Smiles: CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C=O)CC
NscNumber: 166367
Complexity: 469
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 3
CatalogNumber:
AB53248
ChemicalName:
1-((2-(Diethylamino)ethyl)amino)-9-oxo-9H-thioxanthene-4-carbaldehyde
CasNumber:
3613-13-6
MolecularFormula:
C20H22N2O2S
MolecularWeight:
354.4659
MdlNumber:
MFCD20269509
Smiles:
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C=O)CC
NscNumber:
166367
Complexity:
469
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
3
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Smiles: COc1cc(NC(CCCNC(C)C)C)c2c(c1)c(C)ccn2.Cl.Cl
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Smiles:
COc1cc(NC(CCCNC(C)C)C)c2c(c1)c(C)ccn2.Cl.Cl
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Smiles: FC(Oc1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2c1c(ccc2)c1noc(n1)C(O)(C)C)C(F)(F)F)(F)F
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Smiles:
FC(Oc1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2c1c(ccc2)c1noc(n1)C(O)(C)C)C(F)(F)F)(F)F
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Smiles: CC(=CCc1c(O)ccc(c1O)C(=O)[C@H]1[C@@H](CC(=C[C@@H]1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C
NscNumber: __
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(=CCc1c(O)ccc(c1O)C(=O)[C@H]1[C@@H](CC(=C[C@@H]1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C
NscNumber:
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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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