AE11285
1010085-13-8 | MK-5108
Manufacturer: A2B Chem
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CatalogNumber
AE11285
ChemicalName
MK-5108
CasNumber
1010085-13-8
MolecularFormula
C22H21ClFN3O3S
MolecularWeight
461.9368
MdlNumber
MFCD22124479
Smiles
OC(=O)C1(CCC(CC1)Oc1cccc(c1F)Cl)Cc1cccc(n1)Nc1nccs1
Complexity
611
Covalently-bondedUnitCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
5.4
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CatalogNumber: AE11285
ChemicalName: MK-5108
CasNumber: 1010085-13-8
MolecularFormula: C22H21ClFN3O3S
MolecularWeight: 461.9368
MdlNumber: MFCD22124479
Smiles: OC(=O)C1(CCC(CC1)Oc1cccc(c1F)Cl)Cc1cccc(n1)Nc1nccs1
Complexity: 611
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 5.4
CatalogNumber:
AE11285
ChemicalName:
MK-5108
CasNumber:
1010085-13-8
MolecularFormula:
C22H21ClFN3O3S
MolecularWeight:
461.9368
MdlNumber:
MFCD22124479
Smiles:
OC(=O)C1(CCC(CC1)Oc1cccc(c1F)Cl)Cc1cccc(n1)Nc1nccs1
Complexity:
611
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
5.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OC1CC1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)[N-]S(=O)(=O)C1CC1.[K+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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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:
C=CC1CC1(NC(=O)C1CC2CN1C(=O)C(NC(=O)OC1CC1CCCCCc1c(O2)nc2cc(OC)ccc2n1)C(C)(C)C)C(=O)[N-]S(=O)(=O)C1CC1.[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)C(=O)N1C[C@@H](CC[C@H]1C)COc1ccc(cn1)F)c1ncccn1
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:
Cc1ccc(c(c1)C(=O)N1C[C@@H](CC[C@H]1C)COc1ccc(cn1)F)c1ncccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)CS(=O)(=O)NCc1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)CS(=O)(=O)NCc1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__