AV18428
169773-08-4 | Benzyl tert-butyl (4-hydroxybutane-1,2-diyl)dicarbamate
Manufacturer: A2B Chem
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CatalogNumber
AV18428
ChemicalName
Benzyl tert-butyl (4-hydroxybutane-1,2-diyl)dicarbamate
CasNumber
169773-08-4
MolecularFormula
C17H26N2O5
MolecularWeight
338.3987
MdlNumber
MFCD18252210
Smiles
OCCN(C(=O)OC(C)(C)C)CCNC(=O)OCc1ccccc1
Complexity
389
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
10
UndefinedAtomStereocenterCount
1
Xlogp3
1.9
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CatalogNumber: AV18428
ChemicalName: Benzyl tert-butyl (4-hydroxybutane-1,2-diyl)dicarbamate
CasNumber: 169773-08-4
MolecularFormula: C17H26N2O5
MolecularWeight: 338.3987
MdlNumber: MFCD18252210
Smiles: OCCN(C(=O)OC(C)(C)C)CCNC(=O)OCc1ccccc1
Complexity: 389
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 10
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.9
CatalogNumber:
AV18428
ChemicalName:
Benzyl tert-butyl (4-hydroxybutane-1,2-diyl)dicarbamate
CasNumber:
169773-08-4
MolecularFormula:
C17H26N2O5
MolecularWeight:
338.3987
MdlNumber:
MFCD18252210
Smiles:
OCCN(C(=O)OC(C)(C)C)CCNC(=O)OCc1ccccc1
Complexity:
389
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
10
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.9
CatalogNumber: AV18429
ChemicalName: (E)-tert-Butyl 3-(6-(difluoromethoxy)pyridin-3-yl)acrylate
CasNumber: 1621614-95-6
MolecularFormula: C13H15F2NO3
MolecularWeight: 271.2599
MdlNumber: MFCD28991990
Smiles: FC(Oc1ccc(cn1)/C=C/C(=O)OC(C)(C)C)F
Complexity: 326
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: 3.4
CatalogNumber:
AV18429
ChemicalName:
(E)-tert-Butyl 3-(6-(difluoromethoxy)pyridin-3-yl)acrylate
CasNumber:
1621614-95-6
MolecularFormula:
C13H15F2NO3
MolecularWeight:
271.2599
MdlNumber:
MFCD28991990
Smiles:
FC(Oc1ccc(cn1)/C=C/C(=O)OC(C)(C)C)F
Complexity:
326
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1(C)CCC(C1)(C)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1(C)CCC(C1)(C)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)F)C
Complexity: 385
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)F)C
Complexity:
385
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.3