AA30729
1255574-64-1 | 2-Allyl-1-(tert-butoxycarbonyl)-2,3-dihydro-1H-benzo[d]imidazole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA30729
ChemicalName
2-Allyl-1-(tert-butoxycarbonyl)-2,3-dihydro-1H-benzo[d]imidazole-2-carboxylic acid
CasNumber
1255574-64-1
MolecularFormula
C16H19N2O4
MolecularWeight
303.3331
MdlNumber
MFCD17214279
Smiles
C=CCC1(Nc2c(N1C(=O)OC(C)(C)C)cccc2)C(=O)[O-]
Complexity
471
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
3.1
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CatalogNumber: AA30729
ChemicalName: 2-Allyl-1-(tert-butoxycarbonyl)-2,3-dihydro-1H-benzo[d]imidazole-2-carboxylic acid
CasNumber: 1255574-64-1
MolecularFormula: C16H19N2O4
MolecularWeight: 303.3331
MdlNumber: MFCD17214279
Smiles: C=CCC1(Nc2c(N1C(=O)OC(C)(C)C)cccc2)C(=O)[O-]
Complexity: 471
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.1
CatalogNumber:
AA30729
ChemicalName:
2-Allyl-1-(tert-butoxycarbonyl)-2,3-dihydro-1H-benzo[d]imidazole-2-carboxylic acid
CasNumber:
1255574-64-1
MolecularFormula:
C16H19N2O4
MolecularWeight:
303.3331
MdlNumber:
MFCD17214279
Smiles:
C=CCC1(Nc2c(N1C(=O)OC(C)(C)C)cccc2)C(=O)[O-]
Complexity:
471
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.1
CatalogNumber: AA30730
ChemicalName: Benzyl 1-(4-fluorophenyl)cyclopropylcarbamate
CasNumber: 1255574-62-9
MolecularFormula: C17H16FNO2
MolecularWeight: 285.3128
MdlNumber: MFCD17926500
Smiles: O=C(NC1(CC1)c1ccc(cc1)F)OCc1ccccc1
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 3.4
CatalogNumber:
AA30730
ChemicalName:
Benzyl 1-(4-fluorophenyl)cyclopropylcarbamate
CasNumber:
1255574-62-9
MolecularFormula:
C17H16FNO2
MolecularWeight:
285.3128
MdlNumber:
MFCD17926500
Smiles:
O=C(NC1(CC1)c1ccc(cc1)F)OCc1ccccc1
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.4
CatalogNumber: __
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MolecularFormula: __
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Smiles: CC(CCOc1cc(N)c(cc1Br)[N+](=O)[O-])C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(CCOc1cc(N)c(cc1Br)[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: BrC1=CCSCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrC1=CCSCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__