AH58404
820231-27-4 | (2-Amino-4,5,6,7-tetrahydro-benzothiazol-6-yl)-carbamic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AH58404
ChemicalName
(2-Amino-4,5,6,7-tetrahydro-benzothiazol-6-yl)-carbamic acid tert-butyl ester
CasNumber
820231-27-4
MolecularFormula
C12H19N3O2S
MolecularWeight
269.3632
MdlNumber
MFCD13195378
Smiles
O=C(OC(C)(C)C)NC1CCc2c(C1)sc(n2)N
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AH58404
ChemicalName: (2-Amino-4,5,6,7-tetrahydro-benzothiazol-6-yl)-carbamic acid tert-butyl ester
CasNumber: 820231-27-4
MolecularFormula: C12H19N3O2S
MolecularWeight: 269.3632
MdlNumber: MFCD13195378
Smiles: O=C(OC(C)(C)C)NC1CCc2c(C1)sc(n2)N
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AH58404
ChemicalName:
(2-Amino-4,5,6,7-tetrahydro-benzothiazol-6-yl)-carbamic acid tert-butyl ester
CasNumber:
820231-27-4
MolecularFormula:
C12H19N3O2S
MolecularWeight:
269.3632
MdlNumber:
MFCD13195378
Smiles:
O=C(OC(C)(C)C)NC1CCc2c(C1)sc(n2)N
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
CatalogNumber: AH58405
ChemicalName: 3-Methyl-4-nitro-pyrazole-1-carboxylic acid tert-butyl ester
CasNumber: 847139-22-4
MolecularFormula: C9H13N3O4
MolecularWeight: 227.2172
MdlNumber: MFCD23115360
Smiles: [O-][N+](=O)c1cn(nc1C)C(=O)OC(C)(C)C
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AH58405
ChemicalName:
3-Methyl-4-nitro-pyrazole-1-carboxylic acid tert-butyl ester
CasNumber:
847139-22-4
MolecularFormula:
C9H13N3O4
MolecularWeight:
227.2172
MdlNumber:
MFCD23115360
Smiles:
[O-][N+](=O)c1cn(nc1C)C(=O)OC(C)(C)C
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccc(c(c1)C(=O)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ccc(c(c1)C(=O)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cnoc1CCl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnoc1CCl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__