AI46744
297165-32-3 | 2-(tert-Butoxycarbonylamino-methyl)-thiazole-4-carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI46744
ChemicalName
2-(tert-Butoxycarbonylamino-methyl)-thiazole-4-carboxylic acid methyl ester
CasNumber
297165-32-3
MolecularFormula
C11H16N2O4S
MolecularWeight
272.3207
MdlNumber
MFCD23378468
Smiles
COC(=O)c1csc(n1)CNC(=O)OC(C)(C)C
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.7
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CatalogNumber: AI46744
ChemicalName: 2-(tert-Butoxycarbonylamino-methyl)-thiazole-4-carboxylic acid methyl ester
CasNumber: 297165-32-3
MolecularFormula: C11H16N2O4S
MolecularWeight: 272.3207
MdlNumber: MFCD23378468
Smiles: COC(=O)c1csc(n1)CNC(=O)OC(C)(C)C
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.7
CatalogNumber:
AI46744
ChemicalName:
2-(tert-Butoxycarbonylamino-methyl)-thiazole-4-carboxylic acid methyl ester
CasNumber:
297165-32-3
MolecularFormula:
C11H16N2O4S
MolecularWeight:
272.3207
MdlNumber:
MFCD23378468
Smiles:
COC(=O)c1csc(n1)CNC(=O)OC(C)(C)C
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.7
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCCCCCCCCCCCCCCCCCCCCCOCCOCCOCCO
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
CCCCCCCCCCCCCCCCCCCCCCOCCOCCOCCO
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Smiles: Sc1nc2ccccc2c(=O)n1CCc1ccccc1
Complexity: __
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Smiles:
Sc1nc2ccccc2c(=O)n1CCc1ccccc1
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)c1cccs1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__