AB43204
519032-08-7 | Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB43204
ChemicalName
Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate
CasNumber
519032-08-7
MolecularFormula
C17H19N3O6
MolecularWeight
361.3493
MdlNumber
MFCD10698742
Smiles
COC(=O)c1nc([nH]c(=O)c1O)C(NC(=O)OCc1ccccc1)(C)C
Complexity
647
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
7
Xlogp3
1.6
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CatalogNumber: AB43204
ChemicalName: Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate
CasNumber: 519032-08-7
MolecularFormula: C17H19N3O6
MolecularWeight: 361.3493
MdlNumber: MFCD10698742
Smiles: COC(=O)c1nc([nH]c(=O)c1O)C(NC(=O)OCc1ccccc1)(C)C
Complexity: 647
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 7
Xlogp3: 1.6
CatalogNumber:
AB43204
ChemicalName:
Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate
CasNumber:
519032-08-7
MolecularFormula:
C17H19N3O6
MolecularWeight:
361.3493
MdlNumber:
MFCD10698742
Smiles:
COC(=O)c1nc([nH]c(=O)c1O)C(NC(=O)OCc1ccccc1)(C)C
Complexity:
647
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
7
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCCCCO
Complexity: 31.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCCCCO
Complexity:
31.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCN2C(=NCCC2)CC1
Complexity: 163
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCN2C(=NCCC2)CC1
Complexity:
163
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: AB43207
ChemicalName: 1,8-Dibromooctane
CasNumber: 4549-32-0
MolecularFormula: C8H16Br2
MolecularWeight: 272.0206
MdlNumber: MFCD00000277
Smiles: BrCCCCCCCCBr
Complexity: 47.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 4.3
CatalogNumber:
AB43207
ChemicalName:
1,8-Dibromooctane
CasNumber:
4549-32-0
MolecularFormula:
C8H16Br2
MolecularWeight:
272.0206
MdlNumber:
MFCD00000277
Smiles:
BrCCCCCCCCBr
Complexity:
47.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
4.3