AB13980
192564-53-7 | 2-(4-Methylpiperazino)-5-trifluoromethylpyridine
Manufacturer: A2B Chem
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CatalogNumber
AB13980
ChemicalName
2-(4-Methylpiperazino)-5-trifluoromethylpyridine
CasNumber
192564-53-7
MolecularFormula
C11H14F3N3
MolecularWeight
245.2442
MdlNumber
MFCD00839913
Smiles
CN1CCN(CC1)c1ccc(cn1)C(F)(F)F
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AB13980
ChemicalName: 2-(4-Methylpiperazino)-5-trifluoromethylpyridine
CasNumber: 192564-53-7
MolecularFormula: C11H14F3N3
MolecularWeight: 245.2442
MdlNumber: MFCD00839913
Smiles: CN1CCN(CC1)c1ccc(cn1)C(F)(F)F
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB13980
ChemicalName:
2-(4-Methylpiperazino)-5-trifluoromethylpyridine
CasNumber:
192564-53-7
MolecularFormula:
C11H14F3N3
MolecularWeight:
245.2442
MdlNumber:
MFCD00839913
Smiles:
CN1CCN(CC1)c1ccc(cn1)C(F)(F)F
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OP(=O)(O)O.OP(=O)(O)O.OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@H](C(=O)N[C@@H]4c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@@](C2)(C)N)O)[C@@H]2NC(=O)[C@H](NC4=O)c3ccc(c(-c4c(O)cc(cc4[C@H](NC2=O)C(=O)O)O)c3)O)CC(=O)N)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)NCc1ccc(cc1)c1ccc(cc1)Cl)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OP(=O)(O)O.OP(=O)(O)O.OC[C@H]1O[C@@H](Oc2c3Oc4ccc(cc4Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@H](C(=O)N[C@@H]4c(c3)cc2Oc2ccc(cc2Cl)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@@](C2)(C)N)O)[C@@H]2NC(=O)[C@H](NC4=O)c3ccc(c(-c4c(O)cc(cc4[C@H](NC2=O)C(=O)O)O)c3)O)CC(=O)N)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)NCc1ccc(cc1)c1ccc(cc1)Cl)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(Nc1ccc(cc1)C(=O)[O-])CCn1cnc2c1nc[nH]c2=O.[K+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
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Smiles:
O=C(Nc1ccc(cc1)C(=O)[O-])CCn1cnc2c1nc[nH]c2=O.[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC[C@@H](C(=O)O)NC(=O)CN
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC[C@@H](C(=O)O)NC(=O)CN
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__