AC97012
912444-89-4 | (E)-1-tert-Butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC97012
ChemicalName
(E)-1-tert-Butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CasNumber
912444-89-4
MolecularFormula
C14H23NO4
MolecularWeight
269.3367
MdlNumber
MFCD11114566
Smiles
CCOC(=O)C1=CCCN(CC1)C(=O)OC(C)(C)C
Complexity
368
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
2.2
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CatalogNumber: AC97012
ChemicalName: (E)-1-tert-Butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CasNumber: 912444-89-4
MolecularFormula: C14H23NO4
MolecularWeight: 269.3367
MdlNumber: MFCD11114566
Smiles: CCOC(=O)C1=CCCN(CC1)C(=O)OC(C)(C)C
Complexity: 368
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 2.2
CatalogNumber:
AC97012
ChemicalName:
(E)-1-tert-Butyl 4-ethyl 2,3,6,7-tetrahydroazepine-1,4-dicarboxylate
CasNumber:
912444-89-4
MolecularFormula:
C14H23NO4
MolecularWeight:
269.3367
MdlNumber:
MFCD11114566
Smiles:
CCOC(=O)C1=CCCN(CC1)C(=O)OC(C)(C)C
Complexity:
368
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
2.2
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Smiles: O=C(N1CCC[C@]1(C)c1nc2c([nH]1)c(ccc2)C(=O)N)OCc1ccccc1
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Smiles:
O=C(N1CCC[C@]1(C)c1nc2c([nH]1)c(ccc2)C(=O)N)OCc1ccccc1
Complexity:
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Smiles: O=C(Nc1ccc2c(c1)cccn2)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
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Smiles:
O=C(Nc1ccc2c(c1)cccn2)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Complexity:
__
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Smiles: O=c1[nH]c(=O)c2n([nH]1)ccc2
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Smiles:
O=c1[nH]c(=O)c2n([nH]1)ccc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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