AE35822
1251156-08-7 | XL388
Manufacturer: A2B Chem
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CatalogNumber
AE35822
ChemicalName
XL388
CasNumber
1251156-08-7
MolecularFormula
C23H22FN3O4S
MolecularWeight
455.5019
MdlNumber
MFCD24386875
Smiles
O=C(c1ccc(c(c1C)F)S(=O)(=O)C)N1CCOc2c(C1)cc(cc2)c1ccc(=N)[nH]c1
Complexity
776
Covalently-bondedUnitCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AE35822
ChemicalName: XL388
CasNumber: 1251156-08-7
MolecularFormula: C23H22FN3O4S
MolecularWeight: 455.5019
MdlNumber: MFCD24386875
Smiles: O=C(c1ccc(c(c1C)F)S(=O)(=O)C)N1CCOc2c(C1)cc(cc2)c1ccc(=N)[nH]c1
Complexity: 776
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AE35822
ChemicalName:
XL388
CasNumber:
1251156-08-7
MolecularFormula:
C23H22FN3O4S
MolecularWeight:
455.5019
MdlNumber:
MFCD24386875
Smiles:
O=C(c1ccc(c(c1C)F)S(=O)(=O)C)N1CCOc2c(C1)cc(cc2)c1ccc(=N)[nH]c1
Complexity:
776
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C)C(=O)N1CCC(CC1)N1CCN(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCOc1cc(ccc1Nc1ncc2c(n1)N(C1CCCC1)c1ccccc1C(=O)N2C)C(=O)N1CCC(CC1)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCOC(=O)c1[nH]c2c(c1C(C(=O)NC(C)(C)C)N(Cc1ccc(cc1)Cl)C=O)ccc(c2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)c1[nH]c2c(c1C(C(=O)NC(C)(C)C)N(Cc1ccc(cc1)Cl)C=O)ccc(c2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)C(=C1c2ccccc2N(C1=O)Cc1cccc(c1)C(=O)O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)C(=C1c2ccccc2N(C1=O)Cc1cccc(c1)C(=O)O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__