AG78916
604003-26-1 | Ethyl 4-oxo-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG78916
ChemicalName
Ethyl 4-oxo-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CasNumber
604003-26-1
MolecularFormula
C10H13N3O3
MolecularWeight
223.2285
MdlNumber
MFCD06761751
Smiles
CCOC(=O)c1cc2n(n1)CCCNC2=O
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AG78916
ChemicalName: Ethyl 4-oxo-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CasNumber: 604003-26-1
MolecularFormula: C10H13N3O3
MolecularWeight: 223.2285
MdlNumber: MFCD06761751
Smiles: CCOC(=O)c1cc2n(n1)CCCNC2=O
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AG78916
ChemicalName:
Ethyl 4-oxo-5,6,7,8-tetrahydro-4h-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CasNumber:
604003-26-1
MolecularFormula:
C10H13N3O3
MolecularWeight:
223.2285
MdlNumber:
MFCD06761751
Smiles:
CCOC(=O)c1cc2n(n1)CCCNC2=O
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: AG78917
ChemicalName: 4-(4-Methylphenoxy)piperidine, HCl
CasNumber: 65367-97-7
MolecularFormula: C12H18ClNO
MolecularWeight: 227.7304
MdlNumber: MFCD02258936
Smiles: Cc1ccc(cc1)OC1CCNCC1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AG78917
ChemicalName:
4-(4-Methylphenoxy)piperidine, HCl
CasNumber:
65367-97-7
MolecularFormula:
C12H18ClNO
MolecularWeight:
227.7304
MdlNumber:
MFCD02258936
Smiles:
Cc1ccc(cc1)OC1CCNCC1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1nc(nc(c1O)C(=O)O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1nc(nc(c1O)C(=O)O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1nc(nc(c1O)O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1nc(nc(c1O)O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__