AA30713
1255574-37-8 | tert-Butyl 1,1,3-trioxohexahydro-1,2,5-thiadiazo[1,5-a]pyrazine-7(1H)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA30713
ChemicalName
tert-Butyl 1,1,3-trioxohexahydro-1,2,5-thiadiazo[1,5-a]pyrazine-7(1H)-carboxylate
CasNumber
1255574-37-8
MolecularFormula
C10H17N3O5S
MolecularWeight
291.3241
MdlNumber
MFCD17214272
Smiles
O=C1NS(=O)(=O)N2C1CN(CC2)C(=O)OC(C)(C)C
Complexity
504
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-0.5
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CatalogNumber: AA30713
ChemicalName: tert-Butyl 1,1,3-trioxohexahydro-1,2,5-thiadiazo[1,5-a]pyrazine-7(1H)-carboxylate
CasNumber: 1255574-37-8
MolecularFormula: C10H17N3O5S
MolecularWeight: 291.3241
MdlNumber: MFCD17214272
Smiles: O=C1NS(=O)(=O)N2C1CN(CC2)C(=O)OC(C)(C)C
Complexity: 504
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.5
CatalogNumber:
AA30713
ChemicalName:
tert-Butyl 1,1,3-trioxohexahydro-1,2,5-thiadiazo[1,5-a]pyrazine-7(1H)-carboxylate
CasNumber:
1255574-37-8
MolecularFormula:
C10H17N3O5S
MolecularWeight:
291.3241
MdlNumber:
MFCD17214272
Smiles:
O=C1NS(=O)(=O)N2C1CN(CC2)C(=O)OC(C)(C)C
Complexity:
504
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)c1ccc(cc1)c1nnc(s1)N
Complexity: 283
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)c1ccc(cc1)c1nnc(s1)N
Complexity:
283
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7
CatalogNumber: AA30715
ChemicalName: Methyl 3-bromo-5-isobutoxybenzoate
CasNumber: 1255574-35-6
MolecularFormula: C12H15BrO3
MolecularWeight: 287.1497
MdlNumber: MFCD17926493
Smiles: COC(=O)c1cc(OCC(C)C)cc(c1)Br
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 3.8
CatalogNumber:
AA30715
ChemicalName:
Methyl 3-bromo-5-isobutoxybenzoate
CasNumber:
1255574-35-6
MolecularFormula:
C12H15BrO3
MolecularWeight:
287.1497
MdlNumber:
MFCD17926493
Smiles:
COC(=O)c1cc(OCC(C)C)cc(c1)Br
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC[C@H](C1)Nc1ccccn1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC[C@H](C1)Nc1ccccn1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__