AE62156
1373879-28-7 | tert-Butyl 4-(1,3-benzothiazol-2-yl)piperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE62156
ChemicalName
tert-Butyl 4-(1,3-benzothiazol-2-yl)piperidine-1-carboxylate
CasNumber
1373879-28-7
MolecularFormula
C17H22N2O2S
MolecularWeight
318.4338
MdlNumber
MFCD21105859
Smiles
O=C(N1CCC(CC1)c1nc2c(s1)cccc2)OC(C)(C)C
Complexity
402
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.8
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CatalogNumber: AE62156
ChemicalName: tert-Butyl 4-(1,3-benzothiazol-2-yl)piperidine-1-carboxylate
CasNumber: 1373879-28-7
MolecularFormula: C17H22N2O2S
MolecularWeight: 318.4338
MdlNumber: MFCD21105859
Smiles: O=C(N1CCC(CC1)c1nc2c(s1)cccc2)OC(C)(C)C
Complexity: 402
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AE62156
ChemicalName:
tert-Butyl 4-(1,3-benzothiazol-2-yl)piperidine-1-carboxylate
CasNumber:
1373879-28-7
MolecularFormula:
C17H22N2O2S
MolecularWeight:
318.4338
MdlNumber:
MFCD21105859
Smiles:
O=C(N1CCC(CC1)c1nc2c(s1)cccc2)OC(C)(C)C
Complexity:
402
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.8
CatalogNumber: AE62157
ChemicalName: N-Cyclopropyl-5-nitropyridine-2-carboxamide
CasNumber: 1393442-51-7
MolecularFormula: C9H9N3O3
MolecularWeight: 207.1861
MdlNumber: MFCD22383773
Smiles: O=C(c1ccc(cn1)[N+](=O)[O-])NC1CC1
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AE62157
ChemicalName:
N-Cyclopropyl-5-nitropyridine-2-carboxamide
CasNumber:
1393442-51-7
MolecularFormula:
C9H9N3O3
MolecularWeight:
207.1861
MdlNumber:
MFCD22383773
Smiles:
O=C(c1ccc(cn1)[N+](=O)[O-])NC1CC1
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AE62158
ChemicalName: 2-Chloro-5-methylpyridin-4-ol
CasNumber: 1227580-80-4
MolecularFormula: C6H6ClNO
MolecularWeight: 143.5709
MdlNumber: MFCD16610469
Smiles: Clc1ncc(c(c1)O)C
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
AE62158
ChemicalName:
2-Chloro-5-methylpyridin-4-ol
CasNumber:
1227580-80-4
MolecularFormula:
C6H6ClNO
MolecularWeight:
143.5709
MdlNumber:
MFCD16610469
Smiles:
Clc1ncc(c(c1)O)C
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: AE62159
ChemicalName: 2-(4-t-butylphenyl)Isonicotinic acid
CasNumber: 1226273-21-7
MolecularFormula: C16H17NO2
MolecularWeight: 255.3117
MdlNumber: MFCD16329815
Smiles: OC(=O)c1ccnc(c1)c1ccc(cc1)C(C)(C)C
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AE62159
ChemicalName:
2-(4-t-butylphenyl)Isonicotinic acid
CasNumber:
1226273-21-7
MolecularFormula:
C16H17NO2
MolecularWeight:
255.3117
MdlNumber:
MFCD16329815
Smiles:
OC(=O)c1ccnc(c1)c1ccc(cc1)C(C)(C)C
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
4