AA31282
1256584-75-4 | tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1h-indole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA31282
ChemicalName
tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1h-indole-3-carboxylate
CasNumber
1256584-75-4
MolecularFormula
C25H27IN2O2
MolecularWeight
514.3985
MdlNumber
MFCD22571223
Smiles
CCc1ccc(cc1I)C(c1[nH]c2c(c1C(=O)OC(C)(C)C)ccc(c2)C#N)(C)C
Complexity
676
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
6.9
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CatalogNumber: AA31282
ChemicalName: tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1h-indole-3-carboxylate
CasNumber: 1256584-75-4
MolecularFormula: C25H27IN2O2
MolecularWeight: 514.3985
MdlNumber: MFCD22571223
Smiles: CCc1ccc(cc1I)C(c1[nH]c2c(c1C(=O)OC(C)(C)C)ccc(c2)C#N)(C)C
Complexity: 676
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 6.9
CatalogNumber:
AA31282
ChemicalName:
tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1h-indole-3-carboxylate
CasNumber:
1256584-75-4
MolecularFormula:
C25H27IN2O2
MolecularWeight:
514.3985
MdlNumber:
MFCD22571223
Smiles:
CCc1ccc(cc1I)C(c1[nH]c2c(c1C(=O)OC(C)(C)C)ccc(c2)C#N)(C)C
Complexity:
676
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
6.9
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Smiles: OC(=O)c1c(F)c(F)c(c(c1F)F)S(=O)(=O)O
Complexity: __
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Smiles:
OC(=O)c1c(F)c(F)c(c(c1F)F)S(=O)(=O)O
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Smiles: C=COCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Smiles:
C=COCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Smiles: N#Cc1c(Br)csc1Br
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Smiles:
N#Cc1c(Br)csc1Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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