AF62654
24683-21-4 | Ethyl 4-hydroxy-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AF62654
ChemicalName
Ethyl 4-hydroxy-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide
CasNumber
24683-21-4
MolecularFormula
C11H11NO5S
MolecularWeight
269.2737
MdlNumber
MFCD16293837
Smiles
CCOC(=O)C1=C(O)c2c(S(=O)(=O)N1)cccc2
Complexity
476
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AF62654
ChemicalName: Ethyl 4-hydroxy-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide
CasNumber: 24683-21-4
MolecularFormula: C11H11NO5S
MolecularWeight: 269.2737
MdlNumber: MFCD16293837
Smiles: CCOC(=O)C1=C(O)c2c(S(=O)(=O)N1)cccc2
Complexity: 476
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AF62654
ChemicalName:
Ethyl 4-hydroxy-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide
CasNumber:
24683-21-4
MolecularFormula:
C11H11NO5S
MolecularWeight:
269.2737
MdlNumber:
MFCD16293837
Smiles:
CCOC(=O)C1=C(O)c2c(S(=O)(=O)N1)cccc2
Complexity:
476
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.4
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Smiles: CC(C)C(CCC(=O)O)(C#N)C1=CC(=C(C=C1)OC)OC.CC(C1=CC=CC=C1)N
Complexity: __
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Smiles:
CC(C)C(CCC(=O)O)(C#N)C1=CC(=C(C=C1)OC)OC.CC(C1=CC=CC=C1)N
Complexity:
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Smiles: [2H]C1([2H])C(=O)C([2H])([2H])C(C(=O)C1([2H])[2H])([2H])[2H]
Complexity: __
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Smiles:
[2H]C1([2H])C(=O)C([2H])([2H])C(C(=O)C1([2H])[2H])([2H])[2H]
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COCCOCO/N=C/1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCOCO/N=C/1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O)[C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__