AC71486
69785-97-3 | Ethyl 5H-pyrimido[4,5-b][1,4]thiazine-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC71486
ChemicalName
Ethyl 5H-pyrimido[4,5-b][1,4]thiazine-6-carboxylate
CasNumber
69785-97-3
MolecularFormula
C9H9N3O2S
MolecularWeight
223.2517
MdlNumber
MFCD19053252
Smiles
CCOC(=O)C1=CSc2c(N1)cncn2
Complexity
283
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AC71486
ChemicalName: Ethyl 5H-pyrimido[4,5-b][1,4]thiazine-6-carboxylate
CasNumber: 69785-97-3
MolecularFormula: C9H9N3O2S
MolecularWeight: 223.2517
MdlNumber: MFCD19053252
Smiles: CCOC(=O)C1=CSc2c(N1)cncn2
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AC71486
ChemicalName:
Ethyl 5H-pyrimido[4,5-b][1,4]thiazine-6-carboxylate
CasNumber:
69785-97-3
MolecularFormula:
C9H9N3O2S
MolecularWeight:
223.2517
MdlNumber:
MFCD19053252
Smiles:
CCOC(=O)C1=CSc2c(N1)cncn2
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
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Smiles: COCc1cc(on1)CCl
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
COCc1cc(on1)CCl
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RotatableBondCount:
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Smiles: CCN(c1ccc(c(c1)O)C(=O)C)CC
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Smiles:
CCN(c1ccc(c(c1)O)C(=O)C)CC
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C(c1ccco1)OCCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(c1ccco1)OCCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__