AD22216
5002-47-1 | 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl decanoate
Manufacturer: A2B Chem
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CatalogNumber
AD22216
ChemicalName
2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl decanoate
CasNumber
5002-47-1
MolecularFormula
C32H44F3N3O2S
MolecularWeight
591.7709
MdlNumber
MFCD00798504
Smiles
CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F
NscNumber
169510
Complexity
765
Covalently-bondedUnitCount
1
HeavyAtomCount
41
HydrogenBondAcceptorCount
9
RotatableBondCount
16
Xlogp3
9
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CatalogNumber: AD22216
ChemicalName: 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl decanoate
CasNumber: 5002-47-1
MolecularFormula: C32H44F3N3O2S
MolecularWeight: 591.7709
MdlNumber: MFCD00798504
Smiles: CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F
NscNumber: 169510
Complexity: 765
Covalently-bondedUnitCount: 1
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 9
RotatableBondCount: 16
Xlogp3: 9
CatalogNumber:
AD22216
ChemicalName:
2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl decanoate
CasNumber:
5002-47-1
MolecularFormula:
C32H44F3N3O2S
MolecularWeight:
591.7709
MdlNumber:
MFCD00798504
Smiles:
CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F
NscNumber:
169510
Complexity:
765
Covalently-bondedUnitCount:
1
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
9
RotatableBondCount:
16
Xlogp3:
9
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Smiles: CCOC(=O)Cc1ccc(cc1)c1ccccc1F
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CCOC(=O)Cc1ccc(cc1)c1ccccc1F
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Smiles: Fc1cc(F)cc(c1)c1ccccn1
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Fc1cc(F)cc(c1)c1ccccn1
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Smiles: OC(=O)Cc1ccc(cc1)c1ccccc1F
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)Cc1ccc(cc1)c1ccccc1F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__