AA69587
1421438-81-4 | Ly3039478
Manufacturer: A2B Chem
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CatalogNumber
AA69587
ChemicalName
Ly3039478
CasNumber
1421438-81-4
MolecularFormula
C22H23F3N4O4
MolecularWeight
464.4376
MdlNumber
MFCD26142650
Smiles
OCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(F)(F)F)C)c2c(-c3c1nccc3)cccc2
Complexity
720
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
33
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
3
RotatableBondCount
7
Xlogp3
1.8
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CatalogNumber: AA69587
ChemicalName: Ly3039478
CasNumber: 1421438-81-4
MolecularFormula: C22H23F3N4O4
MolecularWeight: 464.4376
MdlNumber: MFCD26142650
Smiles: OCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(F)(F)F)C)c2c(-c3c1nccc3)cccc2
Complexity: 720
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 7
Xlogp3: 1.8
CatalogNumber:
AA69587
ChemicalName:
Ly3039478
CasNumber:
1421438-81-4
MolecularFormula:
C22H23F3N4O4
MolecularWeight:
464.4376
MdlNumber:
MFCD26142650
Smiles:
OCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(F)(F)F)C)c2c(-c3c1nccc3)cccc2
Complexity:
720
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
7
Xlogp3:
1.8
CatalogNumber: AA69588
ChemicalName: 7-Chloro-2,3-dihydroimidazo[1,2-c]pyrimidin-5(1h)-one
CasNumber: 1421433-87-5
MolecularFormula: C6H6ClN3O
MolecularWeight: 171.5843
MdlNumber: MFCD25542223
Smiles: Clc1cc2NCCn2c(=O)n1
Complexity: 271
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AA69588
ChemicalName:
7-Chloro-2,3-dihydroimidazo[1,2-c]pyrimidin-5(1h)-one
CasNumber:
1421433-87-5
MolecularFormula:
C6H6ClN3O
MolecularWeight:
171.5843
MdlNumber:
MFCD25542223
Smiles:
Clc1cc2NCCn2c(=O)n1
Complexity:
271
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)CC1(CS[C@@H](c2cccc(c2)CCc2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)CC1(CS[C@@H](c2cccc(c2)CCc2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCNCc1ccccc1N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCNCc1ccccc1N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__