AA56589
1380087-89-7 | Cpi-0610
Manufacturer: A2B Chem
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CatalogNumber
AA56589
ChemicalName
Cpi-0610
CasNumber
1380087-89-7
MolecularFormula
C20H16ClN3O2
MolecularWeight
365.8129
MdlNumber
MFCD28144505
Smiles
NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2
Complexity
561
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AA56589
ChemicalName: Cpi-0610
CasNumber: 1380087-89-7
MolecularFormula: C20H16ClN3O2
MolecularWeight: 365.8129
MdlNumber: MFCD28144505
Smiles: NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2
Complexity: 561
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AA56589
ChemicalName:
Cpi-0610
CasNumber:
1380087-89-7
MolecularFormula:
C20H16ClN3O2
MolecularWeight:
365.8129
MdlNumber:
MFCD28144505
Smiles:
NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(c3c1onc3C)cccc2
Complexity:
561
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Oc1ccc(cc1)[N+](=O)[O-])OC[C@@H]1[C@@H]2[C@H]1CCC#CCC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Oc1ccc(cc1)[N+](=O)[O-])OC[C@@H]1[C@@H]2[C@H]1CCC#CCC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Oc1ccccc1B(O)O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(Oc1ccccc1B(O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA56595
ChemicalName: tert-Butyl piperidine-4-carboxylate
CasNumber: 138007-24-6
MolecularFormula: C10H19NO2
MolecularWeight: 185.2634
MdlNumber: MFCD12963133
Smiles: O=C(C1CCNCC1)OC(C)(C)C
Complexity: 178
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AA56595
ChemicalName:
tert-Butyl piperidine-4-carboxylate
CasNumber:
138007-24-6
MolecularFormula:
C10H19NO2
MolecularWeight:
185.2634
MdlNumber:
MFCD12963133
Smiles:
O=C(C1CCNCC1)OC(C)(C)C
Complexity:
178
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1