AE02778
80311-89-3 | N-Benzyl 4-bromobenzamide
Manufacturer: A2B Chem
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CatalogNumber
AE02778
ChemicalName
N-Benzyl 4-bromobenzamide
CasNumber
80311-89-3
MolecularFormula
C14H12BrNO
MolecularWeight
290.1552
MdlNumber
MFCD00443890
Smiles
Brc1ccc(cc1)C(=O)NCc1ccccc1
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AE02778
ChemicalName: N-Benzyl 4-bromobenzamide
CasNumber: 80311-89-3
MolecularFormula: C14H12BrNO
MolecularWeight: 290.1552
MdlNumber: MFCD00443890
Smiles: Brc1ccc(cc1)C(=O)NCc1ccccc1
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AE02778
ChemicalName:
N-Benzyl 4-bromobenzamide
CasNumber:
80311-89-3
MolecularFormula:
C14H12BrNO
MolecularWeight:
290.1552
MdlNumber:
MFCD00443890
Smiles:
Brc1ccc(cc1)C(=O)NCc1ccccc1
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
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MolecularWeight: __
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Smiles: NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)OC)CCSC)CC(C)C)Cc1ccccc1)Cc1ccccc1)CCC(=O)N)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCN=C(N)N)N
Complexity: __
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Smiles:
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)OC)CCSC)CC(C)C)Cc1ccccc1)Cc1ccccc1)CCC(=O)N)CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCN=C(N)N)N
Complexity:
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Smiles: OC(=O)COc1cscc1
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Smiles:
OC(=O)COc1cscc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC(Cc1ccccc1Br)C
Complexity: __
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MolecularFormula:
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Smiles:
CC(Cc1ccccc1Br)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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