AE81319
194423-06-8 | CL-387785
Manufacturer: A2B Chem
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CatalogNumber
AE81319
ChemicalName
CL-387785
CasNumber
194423-06-8
MolecularFormula
C18H13BrN4O
MolecularWeight
381.226
MdlNumber
MFCD02179194
Smiles
CC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br
Complexity
514
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
4.3
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CatalogNumber: AE81319
ChemicalName: CL-387785
CasNumber: 194423-06-8
MolecularFormula: C18H13BrN4O
MolecularWeight: 381.226
MdlNumber: MFCD02179194
Smiles: CC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br
Complexity: 514
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 4.3
CatalogNumber:
AE81319
ChemicalName:
CL-387785
CasNumber:
194423-06-8
MolecularFormula:
C18H13BrN4O
MolecularWeight:
381.226
MdlNumber:
MFCD02179194
Smiles:
CC#CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br
Complexity:
514
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ONC(=O)C1(CCOCC1)CS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ONC(=O)C1(CCOCC1)CS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(nc1c1ccccc1)c1ncco1)C1CCCCC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(nc1c1ccccc1)c1ncco1)C1CCCCC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccc(c(c1)C(=O)O)NC(=O)[C@H](Cc1ccccc1)NCc1ccccc1
Complexity: 532
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ccc(c(c1)C(=O)O)NC(=O)[C@H](Cc1ccccc1)NCc1ccccc1
Complexity:
532
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6