AI37799
160600-22-6 | Ethyl 5,7-dihydroxyisothiazolo[4,3-d]pyrimidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI37799
ChemicalName
Ethyl 5,7-dihydroxyisothiazolo[4,3-d]pyrimidine-3-carboxylate
CasNumber
160600-22-6
MolecularFormula
C8H7N3O4S
MolecularWeight
241.2239
MdlNumber
MFCD22209674
Smiles
CCOC(=O)c1snc2c1nc(O)nc2O
Complexity
348
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.4
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CatalogNumber: AI37799
ChemicalName: Ethyl 5,7-dihydroxyisothiazolo[4,3-d]pyrimidine-3-carboxylate
CasNumber: 160600-22-6
MolecularFormula: C8H7N3O4S
MolecularWeight: 241.2239
MdlNumber: MFCD22209674
Smiles: CCOC(=O)c1snc2c1nc(O)nc2O
Complexity: 348
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.4
CatalogNumber:
AI37799
ChemicalName:
Ethyl 5,7-dihydroxyisothiazolo[4,3-d]pyrimidine-3-carboxylate
CasNumber:
160600-22-6
MolecularFormula:
C8H7N3O4S
MolecularWeight:
241.2239
MdlNumber:
MFCD22209674
Smiles:
CCOC(=O)c1snc2c1nc(O)nc2O
Complexity:
348
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.4
CatalogNumber: __
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Smiles: CCOC(=O)c1ccc(c(c1)OC)NC(=O)CN.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
CCOC(=O)c1ccc(c(c1)OC)NC(=O)CN.Cl
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOP(=O)(OCC)CCOCCOCCOCCP(=O)(OCC)OCC
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Smiles:
CCOP(=O)(OCC)CCOCCOCCOCCP(=O)(OCC)OCC
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1ccc2c(c1)c(=O)n(cn2)C
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MolecularFormula:
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Smiles:
Clc1ccc2c(c1)c(=O)n(cn2)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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