AE34965
1255574-63-0 | tert-Butyl 4-amino-1-benzyl-2,2--dioxothia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE34965
ChemicalName
tert-Butyl 4-amino-1-benzyl-2,2--dioxothia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CasNumber
1255574-63-0
MolecularFormula
C19H27N3O4S
MolecularWeight
393.5004
MdlNumber
MFCD17214271
Smiles
O=C(N1CCC2(CC1)C(=CS(=O)(=O)N2Cc1ccccc1)N)OC(C)(C)C
Complexity
691
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.3
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CatalogNumber: AE34965
ChemicalName: tert-Butyl 4-amino-1-benzyl-2,2--dioxothia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CasNumber: 1255574-63-0
MolecularFormula: C19H27N3O4S
MolecularWeight: 393.5004
MdlNumber: MFCD17214271
Smiles: O=C(N1CCC2(CC1)C(=CS(=O)(=O)N2Cc1ccccc1)N)OC(C)(C)C
Complexity: 691
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AE34965
ChemicalName:
tert-Butyl 4-amino-1-benzyl-2,2--dioxothia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CasNumber:
1255574-63-0
MolecularFormula:
C19H27N3O4S
MolecularWeight:
393.5004
MdlNumber:
MFCD17214271
Smiles:
O=C(N1CCC2(CC1)C(=CS(=O)(=O)N2Cc1ccccc1)N)OC(C)(C)C
Complexity:
691
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccncc1[B-](F)(F)F.[K+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccncc1[B-](F)(F)F.[K+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE34967
ChemicalName: 2-(2,2,2-trifluoroethoxy)pyrimidine-5-boronic acid, pinacol ester
CasNumber: 1351234-12-2
MolecularFormula: C12H16BF3N2O3
MolecularWeight: 304.0732
MdlNumber: MFCD18311855
Smiles: FC(COc1ncc(cn1)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AE34967
ChemicalName:
2-(2,2,2-trifluoroethoxy)pyrimidine-5-boronic acid, pinacol ester
CasNumber:
1351234-12-2
MolecularFormula:
C12H16BF3N2O3
MolecularWeight:
304.0732
MdlNumber:
MFCD18311855
Smiles:
FC(COc1ncc(cn1)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1F)F)B(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1F)F)B(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__