AA37550
12671-74-8 | 2-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
Manufacturer: A2B Chem
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CatalogNumber
AA37550
ChemicalName
2-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
CasNumber
12671-74-8
MolecularFormula
C36H45NO2S
MolecularWeight
555.813
MdlNumber
MFCD00144314
Smiles
CCCCCCCCCCCCCCCCCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c(s3)cccc1
Complexity
800
Covalently-bondedUnitCount
1
HeavyAtomCount
40
HydrogenBondAcceptorCount
3
RotatableBondCount
17
Xlogp3
12.8
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CatalogNumber: AA37550
ChemicalName: 2-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
CasNumber: 12671-74-8
MolecularFormula: C36H45NO2S
MolecularWeight: 555.813
MdlNumber: MFCD00144314
Smiles: CCCCCCCCCCCCCCCCCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c(s3)cccc1
Complexity: 800
Covalently-bondedUnitCount: 1
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 3
RotatableBondCount: 17
Xlogp3: 12.8
CatalogNumber:
AA37550
ChemicalName:
2-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
CasNumber:
12671-74-8
MolecularFormula:
C36H45NO2S
MolecularWeight:
555.813
MdlNumber:
MFCD00144314
Smiles:
CCCCCCCCCCCCCCCCCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c(s3)cccc1
Complexity:
800
Covalently-bondedUnitCount:
1
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
3
RotatableBondCount:
17
Xlogp3:
12.8
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Smiles: N#Cc1cncc(c1)c1ccc(cc1)C
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N#Cc1cncc(c1)c1ccc(cc1)C
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Smiles: FC(c1ccc2c(c1)nco2)(F)F
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FC(c1ccc2c(c1)nco2)(F)F
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Cc1cccc2c1oc(=O)n2C
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__
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MolecularFormula:
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Smiles:
Cc1cccc2c1oc(=O)n2C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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