AF01058
194669-38-0 | tert-Butyl 4-(2-cyanophenyl)-5,6-dihydropyridine-1(2h)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF01058
ChemicalName
tert-Butyl 4-(2-cyanophenyl)-5,6-dihydropyridine-1(2h)-carboxylate
CasNumber
194669-38-0
MolecularFormula
C17H20N2O2
MolecularWeight
284.3529
MdlNumber
MFCD11977160
Smiles
N#Cc1ccccc1C1=CCN(CC1)C(=O)OC(C)(C)C
Complexity
467
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AF01058
ChemicalName: tert-Butyl 4-(2-cyanophenyl)-5,6-dihydropyridine-1(2h)-carboxylate
CasNumber: 194669-38-0
MolecularFormula: C17H20N2O2
MolecularWeight: 284.3529
MdlNumber: MFCD11977160
Smiles: N#Cc1ccccc1C1=CCN(CC1)C(=O)OC(C)(C)C
Complexity: 467
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AF01058
ChemicalName:
tert-Butyl 4-(2-cyanophenyl)-5,6-dihydropyridine-1(2h)-carboxylate
CasNumber:
194669-38-0
MolecularFormula:
C17H20N2O2
MolecularWeight:
284.3529
MdlNumber:
MFCD11977160
Smiles:
N#Cc1ccccc1C1=CCN(CC1)C(=O)OC(C)(C)C
Complexity:
467
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.7
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Smiles: COc1nc2cc(ccc2c(n1)OC)C(=O)OC
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Smiles:
COc1nc2cc(ccc2c(n1)OC)C(=O)OC
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Smiles: O=Cc1c(Br)ccc(c1Oc1ccccc1)Cl
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O=Cc1c(Br)ccc(c1Oc1ccccc1)Cl
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Smiles: N#CC(c1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1)c1ccc(cc1)Cl
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Smiles:
N#CC(c1cc(F)c(cc1F)S(=O)(=O)Nc1nccs1)c1ccc(cc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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