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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Show Difference

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A2B Chem

AI48789

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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

Img

A2B Chem

AI48790

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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

Img

A2B Chem

AI48791

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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:
__

Img

A2B Chem

AI48792

--


CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
FC(c1cccc(c1)n1cccn1)(F)F

Complexity:
217

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

RotatableBondCount:
__

Xlogp3:
3.1