AI48789
356790-62-0 | Ethyl 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI48789
ChemicalName
Ethyl 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetate
CasNumber
356790-62-0
MolecularFormula
C13H14N2O3
MolecularWeight
246.2619
MdlNumber
MFCD01327269
Smiles
CCOC(=O)Cc1nn(C)c(=O)c2c1cccc2
Complexity
378
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.6
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CatalogNumber: AI48789
ChemicalName: Ethyl 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetate
CasNumber: 356790-62-0
MolecularFormula: C13H14N2O3
MolecularWeight: 246.2619
MdlNumber: MFCD01327269
Smiles: CCOC(=O)Cc1nn(C)c(=O)c2c1cccc2
Complexity: 378
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.6
CatalogNumber:
AI48789
ChemicalName:
Ethyl 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetate
CasNumber:
356790-62-0
MolecularFormula:
C13H14N2O3
MolecularWeight:
246.2619
MdlNumber:
MFCD01327269
Smiles:
CCOC(=O)Cc1nn(C)c(=O)c2c1cccc2
Complexity:
378
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.6
CatalogNumber: AI48790
ChemicalName: 1-Isopropyl-3H-1,3-benzodiazol-2-one
CasNumber: 35681-40-4
MolecularFormula: C10H12N2O
MolecularWeight: 176.2151
MdlNumber: MFCD27578171
Smiles: CC(n1c(=O)[nH]c2c1cccc2)C
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AI48790
ChemicalName:
1-Isopropyl-3H-1,3-benzodiazol-2-one
CasNumber:
35681-40-4
MolecularFormula:
C10H12N2O
MolecularWeight:
176.2151
MdlNumber:
MFCD27578171
Smiles:
CC(n1c(=O)[nH]c2c1cccc2)C
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1cccc(c1)n1cccn1)(F)F
Complexity: 217
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1cccc(c1)n1cccn1)(F)F
Complexity:
217
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1