AI30763
1341034-65-8 | 2-Cyano-5-fluoro-nicotinic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI30763
ChemicalName
2-Cyano-5-fluoro-nicotinic acid tert-butyl ester
CasNumber
1341034-65-8
MolecularFormula
C11H12FN3O2
MolecularWeight
237.2303
MdlNumber
MFCD29916999
Smiles
N#Cc1ncc(cc1NC(=O)OC(C)(C)C)F
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AI30763
ChemicalName: 2-Cyano-5-fluoro-nicotinic acid tert-butyl ester
CasNumber: 1341034-65-8
MolecularFormula: C11H12FN3O2
MolecularWeight: 237.2303
MdlNumber: MFCD29916999
Smiles: N#Cc1ncc(cc1NC(=O)OC(C)(C)C)F
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AI30763
ChemicalName:
2-Cyano-5-fluoro-nicotinic acid tert-butyl ester
CasNumber:
1341034-65-8
MolecularFormula:
C11H12FN3O2
MolecularWeight:
237.2303
MdlNumber:
MFCD29916999
Smiles:
N#Cc1ncc(cc1NC(=O)OC(C)(C)C)F
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AI30764
ChemicalName: tert-Butyl 6-oxo-4-phenyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CasNumber: 1341034-79-4
MolecularFormula: C18H24N2O3
MolecularWeight: 316.3948
MdlNumber: MFCD25509342
Smiles: O=C(N1CC(C2(C1)CCNC2=O)c1ccccc1)OC(C)(C)C
Complexity: 479
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AI30764
ChemicalName:
tert-Butyl 6-oxo-4-phenyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CasNumber:
1341034-79-4
MolecularFormula:
C18H24N2O3
MolecularWeight:
316.3948
MdlNumber:
MFCD25509342
Smiles:
O=C(N1CC(C2(C1)CCNC2=O)c1ccccc1)OC(C)(C)C
Complexity:
479
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H]1C[C@]21C(=O)Nc1c2cccc1
Complexity: 341
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)[C@H]1C[C@]21C(=O)Nc1c2cccc1
Complexity:
341
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)[C@]12CNC[C@@H]2CCN(CC1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCOC(=O)[C@]12CNC[C@@H]2CCN(CC1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__