AV18459
1613722-23-8 | (S)-9-Bromo-1-methyl-3,5-dihydrobenzo[5,6][1,4]oxazino[3,4-c][1,2,4]triazin-2(1H)-one
Manufacturer: A2B Chem
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CatalogNumber
AV18459
ChemicalName
(S)-9-Bromo-1-methyl-3,5-dihydrobenzo[5,6][1,4]oxazino[3,4-c][1,2,4]triazin-2(1H)-one
CasNumber
1613722-23-8
MolecularFormula
C11H10BrN3O2
MolecularWeight
296.12
MdlNumber
MFCD28991943
Smiles
C[C@@H]1N2C(=NNC1=O)COc1c2cc(Br)cc1
Complexity
374
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
Xlogp3
1.5
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CatalogNumber: AV18459
ChemicalName: (S)-9-Bromo-1-methyl-3,5-dihydrobenzo[5,6][1,4]oxazino[3,4-c][1,2,4]triazin-2(1H)-one
CasNumber: 1613722-23-8
MolecularFormula: C11H10BrN3O2
MolecularWeight: 296.12
MdlNumber: MFCD28991943
Smiles: C[C@@H]1N2C(=NNC1=O)COc1c2cc(Br)cc1
Complexity: 374
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 1.5
CatalogNumber:
AV18459
ChemicalName:
(S)-9-Bromo-1-methyl-3,5-dihydrobenzo[5,6][1,4]oxazino[3,4-c][1,2,4]triazin-2(1H)-one
CasNumber:
1613722-23-8
MolecularFormula:
C11H10BrN3O2
MolecularWeight:
296.12
MdlNumber:
MFCD28991943
Smiles:
C[C@@H]1N2C(=NNC1=O)COc1c2cc(Br)cc1
Complexity:
374
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#CCN1CCN(CC1)c1ncccn1
Complexity: 230
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#CCN1CCN(CC1)c1ncccn1
Complexity:
230
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1c(SC)ncnc1Cl
Complexity: 123
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1c(SC)ncnc1Cl
Complexity:
123
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
2.8
CatalogNumber: AV18462
ChemicalName: 6-(3,5-Dimethyl-1H-pyrazol-1-yl)nicotinonitrile
CasNumber: 1134898-77-3
MolecularFormula: C11H10N4
MolecularWeight: 198.2239
MdlNumber: MFCD09948772
Smiles: N#Cc1ccc(nc1)n1nc(cc1C)C
Complexity: 269
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
Xlogp3: 1.7
CatalogNumber:
AV18462
ChemicalName:
6-(3,5-Dimethyl-1H-pyrazol-1-yl)nicotinonitrile
CasNumber:
1134898-77-3
MolecularFormula:
C11H10N4
MolecularWeight:
198.2239
MdlNumber:
MFCD09948772
Smiles:
N#Cc1ccc(nc1)n1nc(cc1C)C
Complexity:
269
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
Xlogp3:
1.7