AV18436
949556-46-1 | 5-(((1-(4-Methoxybenzyl)-1H-pyrazol-5-yl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Manufacturer: A2B Chem
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CatalogNumber
AV18436
ChemicalName
5-(((1-(4-Methoxybenzyl)-1H-pyrazol-5-yl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CasNumber
949556-46-1
MolecularFormula
C18H19N3O5
MolecularWeight
357.3606
MdlNumber
MFCD27976547
Smiles
COc1ccc(cc1)Cn1nccc1NC=C1C(=O)OC(OC1=O)(C)C
Complexity
547
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.7
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CatalogNumber: AV18436
ChemicalName: 5-(((1-(4-Methoxybenzyl)-1H-pyrazol-5-yl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CasNumber: 949556-46-1
MolecularFormula: C18H19N3O5
MolecularWeight: 357.3606
MdlNumber: MFCD27976547
Smiles: COc1ccc(cc1)Cn1nccc1NC=C1C(=O)OC(OC1=O)(C)C
Complexity: 547
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AV18436
ChemicalName:
5-(((1-(4-Methoxybenzyl)-1H-pyrazol-5-yl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CasNumber:
949556-46-1
MolecularFormula:
C18H19N3O5
MolecularWeight:
357.3606
MdlNumber:
MFCD27976547
Smiles:
COc1ccc(cc1)Cn1nccc1NC=C1C(=O)OC(OC1=O)(C)C
Complexity:
547
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)I
Complexity: 355
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)I
Complexity:
355
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[C@H]1O[C@H]2[C@@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity: 376
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@H]1O[C@H]2[C@@H](C1)CN(C2)C(=O)OC(C)(C)C
Complexity:
376
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: AV18439
ChemicalName: 6-Chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CasNumber: 58826-40-7
MolecularFormula: C6H5ClN4
MolecularWeight: 168.5837
MdlNumber: MFCD01207014
Smiles: Clc1cc(C)c2n(n1)cnn2
Complexity: 154
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AV18439
ChemicalName:
6-Chloro-8-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CasNumber:
58826-40-7
MolecularFormula:
C6H5ClN4
MolecularWeight:
168.5837
MdlNumber:
MFCD01207014
Smiles:
Clc1cc(C)c2n(n1)cnn2
Complexity:
154
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1