AI45734
24683-26-9 | 2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester 1,1-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AI45734
ChemicalName
2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester 1,1-dioxide
CasNumber
24683-26-9
MolecularFormula
C12H13NO5S
MolecularWeight
283.3003
MdlNumber
MFCD00190168
Smiles
CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
Complexity
505
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AI45734
ChemicalName: 2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester 1,1-dioxide
CasNumber: 24683-26-9
MolecularFormula: C12H13NO5S
MolecularWeight: 283.3003
MdlNumber: MFCD00190168
Smiles: CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
Complexity: 505
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AI45734
ChemicalName:
2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester 1,1-dioxide
CasNumber:
24683-26-9
MolecularFormula:
C12H13NO5S
MolecularWeight:
283.3003
MdlNumber:
MFCD00190168
Smiles:
CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
Complexity:
505
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
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Smiles: CC(OCCOc1ccc(cc1)C(=O)O)C
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CC(OCCOc1ccc(cc1)C(=O)O)C
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Smiles: O=c1cc(C)c2c(o1)cc(cc2)OCC1CO1
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O=c1cc(C)c2c(o1)cc(cc2)OCC1CO1
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Smiles: O=c1oc2cc(OCC3CO3)ccc2c(c1)c1ccccc1
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Smiles:
O=c1oc2cc(OCC3CO3)ccc2c(c1)c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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