AF85750
333986-61-1 | tert-Butyl 4-(4-nitroanilino)tetrahydro-1(2h)-pyridinecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF85750
ChemicalName
tert-Butyl 4-(4-nitroanilino)tetrahydro-1(2h)-pyridinecarboxylate
CasNumber
333986-61-1
MolecularFormula
C16H23N3O4
MolecularWeight
321.3715
MdlNumber
MFCD11553055
Smiles
O=C(N1CCC(CC1)Nc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity
414
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.2
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CatalogNumber: AF85750
ChemicalName: tert-Butyl 4-(4-nitroanilino)tetrahydro-1(2h)-pyridinecarboxylate
CasNumber: 333986-61-1
MolecularFormula: C16H23N3O4
MolecularWeight: 321.3715
MdlNumber: MFCD11553055
Smiles: O=C(N1CCC(CC1)Nc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity: 414
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.2
CatalogNumber:
AF85750
ChemicalName:
tert-Butyl 4-(4-nitroanilino)tetrahydro-1(2h)-pyridinecarboxylate
CasNumber:
333986-61-1
MolecularFormula:
C16H23N3O4
MolecularWeight:
321.3715
MdlNumber:
MFCD11553055
Smiles:
O=C(N1CCC(CC1)Nc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Complexity:
414
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.2
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Smiles: O=C(N1CCC2(C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
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O=C(N1CCC2(C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
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Smiles: O=CC(c1ccnc2c1cccc2)C=O.O
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O=CC(c1ccnc2c1cccc2)C=O.O
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Smiles: CC(CN1CCCCC1)N
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Smiles:
CC(CN1CCCCC1)N
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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