AB43470
61337-89-1 | 1-(3-Hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine
Manufacturer: A2B Chem
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CatalogNumber
AB43470
ChemicalName
1-(3-Hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine
CasNumber
61337-89-1
MolecularFormula
C17H21N3O
MolecularWeight
283.3681
MdlNumber
MFCD08063948
Smiles
OCc1cccnc1N1CCN(CC1c1ccccc1)C
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AB43470
ChemicalName: 1-(3-Hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine
CasNumber: 61337-89-1
MolecularFormula: C17H21N3O
MolecularWeight: 283.3681
MdlNumber: MFCD08063948
Smiles: OCc1cccnc1N1CCN(CC1c1ccccc1)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AB43470
ChemicalName:
1-(3-Hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine
CasNumber:
61337-89-1
MolecularFormula:
C17H21N3O
MolecularWeight:
283.3681
MdlNumber:
MFCD08063948
Smiles:
OCc1cccnc1N1CCN(CC1c1ccccc1)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1c(CC(=O)O)sc(=S)[nH]1
Complexity: 247
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1c(CC(=O)O)sc(=S)[nH]1
Complexity:
247
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CCC(CC1)c1nc2c([nH]1)cccc2
Complexity: 213
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CCC(CC1)c1nc2c([nH]1)cccc2
Complexity:
213
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9
CatalogNumber: AB43473
ChemicalName: 1,3-Thiazol-4-ylacetic acid
CasNumber: 7504-44-1
MolecularFormula: C5H5NO2S
MolecularWeight: 143.1637
MdlNumber: MFCD09991935
Smiles: OC(=O)Cc1cscn1
Complexity: 118
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.5
CatalogNumber:
AB43473
ChemicalName:
1,3-Thiazol-4-ylacetic acid
CasNumber:
7504-44-1
MolecularFormula:
C5H5NO2S
MolecularWeight:
143.1637
MdlNumber:
MFCD09991935
Smiles:
OC(=O)Cc1cscn1
Complexity:
118
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.5