AA03530
1007882-04-3 | (S)-tert-Butyl 2-(5-(4-bromophenyl)-1h-imidazol-2-yl)pyrrolidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA03530
ChemicalName
(S)-tert-Butyl 2-(5-(4-bromophenyl)-1h-imidazol-2-yl)pyrrolidine-1-carboxylate
CasNumber
1007882-04-3
MolecularFormula
C18H22BrN3O2
MolecularWeight
392.2902
MdlNumber
MFCD19982645
Smiles
Brc1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)OC(C)(C)C
Complexity
446
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.7
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CatalogNumber: AA03530
ChemicalName: (S)-tert-Butyl 2-(5-(4-bromophenyl)-1h-imidazol-2-yl)pyrrolidine-1-carboxylate
CasNumber: 1007882-04-3
MolecularFormula: C18H22BrN3O2
MolecularWeight: 392.2902
MdlNumber: MFCD19982645
Smiles: Brc1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)OC(C)(C)C
Complexity: 446
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.7
CatalogNumber:
AA03530
ChemicalName:
(S)-tert-Butyl 2-(5-(4-bromophenyl)-1h-imidazol-2-yl)pyrrolidine-1-carboxylate
CasNumber:
1007882-04-3
MolecularFormula:
C18H22BrN3O2
MolecularWeight:
392.2902
MdlNumber:
MFCD19982645
Smiles:
Brc1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)OC(C)(C)C
Complexity:
446
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.7
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Smiles: O=C([C@@H]1CCCN1C(=O)OC(C)(C)C)NCC(=O)c1ccc(cc1)Br
Complexity: __
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Smiles:
O=C([C@@H]1CCCN1C(=O)OC(C)(C)C)NCC(=O)c1ccc(cc1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC([C@@H](C(=O)O)Nc1cncnc1)C
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Smiles:
CC([C@@H](C(=O)O)Nc1cncnc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: COC(=O)N[C@@H]([C@H](OC)C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)N[C@@H]([C@H](OC)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__