AA45946
131707-24-9 | Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA45946
ChemicalName
Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
CasNumber
131707-24-9
MolecularFormula
C19H18BrNO3S
MolecularWeight
420.32011999999986
MdlNumber
MFCD00378136
Smiles
CCOC(=O)c1c2cc(O)c(cc2n(c1CSc1ccccc1)C)Br
Complexity
460
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
4.6
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CatalogNumber: AA45946
ChemicalName: Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
CasNumber: 131707-24-9
MolecularFormula: C19H18BrNO3S
MolecularWeight: 420.32011999999986
MdlNumber: MFCD00378136
Smiles: CCOC(=O)c1c2cc(O)c(cc2n(c1CSc1ccccc1)C)Br
Complexity: 460
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 4.6
CatalogNumber:
AA45946
ChemicalName:
Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
CasNumber:
131707-24-9
MolecularFormula:
C19H18BrNO3S
MolecularWeight:
420.32011999999986
MdlNumber:
MFCD00378136
Smiles:
CCOC(=O)c1c2cc(O)c(cc2n(c1CSc1ccccc1)C)Br
Complexity:
460
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
4.6
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Smiles: CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C.Cl
Complexity: 546
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C.Cl
Complexity:
546
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: NC(=O)CCN(n1cnnc1)CCC(=O)N
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Smiles:
NC(=O)CCN(n1cnnc1)CCC(=O)N
Complexity:
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RotatableBondCount:
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Smiles: Clc1ccc(cc1)Cn1c(Cl)nc2c1cccc2
Complexity: __
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Smiles:
Clc1ccc(cc1)Cn1c(Cl)nc2c1cccc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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