AI08105
1101869-79-7 | tert-Butyl 3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI08105
ChemicalName
tert-Butyl 3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CasNumber
1101869-79-7
MolecularFormula
C19H24N2O3
MolecularWeight
328.4055
MdlNumber
MFCD28133428
Smiles
O=C(N1C2CCC1C=C(C2)c1cccc(c1)C(=O)N)OC(C)(C)C
Complexity
549
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
2.4
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CatalogNumber: AI08105
ChemicalName: tert-Butyl 3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CasNumber: 1101869-79-7
MolecularFormula: C19H24N2O3
MolecularWeight: 328.4055
MdlNumber: MFCD28133428
Smiles: O=C(N1C2CCC1C=C(C2)c1cccc(c1)C(=O)N)OC(C)(C)C
Complexity: 549
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.4
CatalogNumber:
AI08105
ChemicalName:
tert-Butyl 3-(3-carbamoylphenyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CasNumber:
1101869-79-7
MolecularFormula:
C19H24N2O3
MolecularWeight:
328.4055
MdlNumber:
MFCD28133428
Smiles:
O=C(N1C2CCC1C=C(C2)c1cccc(c1)C(=O)N)OC(C)(C)C
Complexity:
549
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.4
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Smiles: Fc1ccc(cc1I)C(F)(F)F
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Fc1ccc(cc1I)C(F)(F)F
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Smiles: CC(=O)Cc1nsc(n1)NC(=O)c1ccccc1
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CC(=O)Cc1nsc(n1)NC(=O)c1ccccc1
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Smiles: CCCc1cccc(c1)CN
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Smiles:
CCCc1cccc(c1)CN
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__