AI46402
27885-92-3 | 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
Manufacturer: A2B Chem
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CatalogNumber
AI46402
ChemicalName
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CasNumber
27885-92-3
MolecularFormula
C19H20N6O
MolecularWeight
348.4017
MdlNumber
MFCD00693581
Smiles
O=C(Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1
Complexity
526
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
4
RotatableBondCount
4
Xlogp3
0.4
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CatalogNumber: AI46402
ChemicalName: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CasNumber: 27885-92-3
MolecularFormula: C19H20N6O
MolecularWeight: 348.4017
MdlNumber: MFCD00693581
Smiles: O=C(Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1
Complexity: 526
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 4
RotatableBondCount: 4
Xlogp3: 0.4
CatalogNumber:
AI46402
ChemicalName:
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CasNumber:
27885-92-3
MolecularFormula:
C19H20N6O
MolecularWeight:
348.4017
MdlNumber:
MFCD00693581
Smiles:
O=C(Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1
Complexity:
526
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
4
RotatableBondCount:
4
Xlogp3:
0.4
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Smiles: C1=CC(=CC=C1C=CC#N)[N+](=O)[O-]
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Smiles:
C1=CC(=CC=C1C=CC#N)[N+](=O)[O-]
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Smiles: CC(=O)OC[C@H]1O[C@@H](Sc2ccc(cc2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Complexity: __
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Smiles:
CC(=O)OC[C@H]1O[C@@H](Sc2ccc(cc2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)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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Smiles: O=Cc1ccc2c(c1)nc(o2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc2c(c1)nc(o2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__