AF68063
330786-25-9 | Pci-29732
Manufacturer: A2B Chem
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CatalogNumber
AF68063
ChemicalName
Pci-29732
CasNumber
330786-25-9
MolecularFormula
C22H21N5O
MolecularWeight
371.4350400000001
MdlNumber
MFCD25976874
Smiles
Nc1ncnc2c1c(nn2C1CCCC1)c1ccc(cc1)Oc1ccccc1
Complexity
499
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
4.2
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CatalogNumber: AF68063
ChemicalName: Pci-29732
CasNumber: 330786-25-9
MolecularFormula: C22H21N5O
MolecularWeight: 371.4350400000001
MdlNumber: MFCD25976874
Smiles: Nc1ncnc2c1c(nn2C1CCCC1)c1ccc(cc1)Oc1ccccc1
Complexity: 499
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 4.2
CatalogNumber:
AF68063
ChemicalName:
Pci-29732
CasNumber:
330786-25-9
MolecularFormula:
C22H21N5O
MolecularWeight:
371.4350400000001
MdlNumber:
MFCD25976874
Smiles:
Nc1ncnc2c1c(nn2C1CCCC1)c1ccc(cc1)Oc1ccccc1
Complexity:
499
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(CONC(=O)c1cc(Br)c(c(c1Nc1ccc(cc1F)I)F)F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(CONC(=O)c1cc(Br)c(c(c1Nc1ccc(cc1F)I)F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C[C@H](C(=O)OC(C)(C)C)ON1C(=O)c2c(C1=O)cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C[C@H](C(=O)OC(C)(C)C)ON1C(=O)c2c(C1=O)cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC([C@@H]([C@H]1[C@H](NC(=N)N)C[C@@H]([C@H]1O)C(=O)O)NC(=O)C)CC
Complexity: 460
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC([C@@H]([C@H]1[C@H](NC(=N)N)C[C@@H]([C@H]1O)C(=O)O)NC(=O)C)CC
Complexity:
460
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__