AD38601
1133115-87-3 | tert-Butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD38601
ChemicalName
tert-Butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate
CasNumber
1133115-87-3
MolecularFormula
C18H22N4O4
MolecularWeight
358.3917
MdlNumber
MFCD11855903
Smiles
O=C(N1CCN(CC1)c1ccc2c(c1[N+](=O)[O-])cccn2)OC(C)(C)C
Complexity
522
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AD38601
ChemicalName: tert-Butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate
CasNumber: 1133115-87-3
MolecularFormula: C18H22N4O4
MolecularWeight: 358.3917
MdlNumber: MFCD11855903
Smiles: O=C(N1CCN(CC1)c1ccc2c(c1[N+](=O)[O-])cccn2)OC(C)(C)C
Complexity: 522
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AD38601
ChemicalName:
tert-Butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate
CasNumber:
1133115-87-3
MolecularFormula:
C18H22N4O4
MolecularWeight:
358.3917
MdlNumber:
MFCD11855903
Smiles:
O=C(N1CCN(CC1)c1ccc2c(c1[N+](=O)[O-])cccn2)OC(C)(C)C
Complexity:
522
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AD38602
ChemicalName: Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate
CasNumber: 1133115-70-4
MolecularFormula: C13H12ClNO2
MolecularWeight: 249.6929
MdlNumber: MFCD11855885
Smiles: COC(=O)c1cc(Cl)c2c(n1)c(C)c(cc2)C
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AD38602
ChemicalName:
Methyl 4-chloro-7,8-dimethylquinoline-2-carboxylate
CasNumber:
1133115-70-4
MolecularFormula:
C13H12ClNO2
MolecularWeight:
249.6929
MdlNumber:
MFCD11855885
Smiles:
COC(=O)c1cc(Cl)c2c(n1)c(C)c(cc2)C
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.7
CatalogNumber: AD38603
ChemicalName: 5-Bromo-4-thiocyanato-2-(trifluoromethoxy)aniline
CasNumber: 1133115-30-6
MolecularFormula: C8H4BrF3N2OS
MolecularWeight: 313.0944
MdlNumber: MFCD11855818
Smiles: N#CSc1cc(OC(F)(F)F)c(cc1Br)N
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AD38603
ChemicalName:
5-Bromo-4-thiocyanato-2-(trifluoromethoxy)aniline
CasNumber:
1133115-30-6
MolecularFormula:
C8H4BrF3N2OS
MolecularWeight:
313.0944
MdlNumber:
MFCD11855818
Smiles:
N#CSc1cc(OC(F)(F)F)c(cc1Br)N
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
RotatableBondCount:
2
Xlogp3:
3.7
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Smiles: O=c1[nH]c(=O)[nH]nc1SC(F)(F)F
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O=c1[nH]c(=O)[nH]nc1SC(F)(F)F
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HydrogenBondAcceptorCount:
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