AI78377
168828-71-5 | Benzyl (3-fluoro-4-thiomorpholinophenyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AI78377
ChemicalName
Benzyl (3-fluoro-4-thiomorpholinophenyl)carbamate
CasNumber
168828-71-5
MolecularFormula
C18H19FN2O2S
MolecularWeight
346.4191
MdlNumber
MFCD28016162
Smiles
O=C(Nc1ccc(c(c1)F)N1CCSCC1)OCc1ccccc1
Complexity
401
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.6
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CatalogNumber: AI78377
ChemicalName: Benzyl (3-fluoro-4-thiomorpholinophenyl)carbamate
CasNumber: 168828-71-5
MolecularFormula: C18H19FN2O2S
MolecularWeight: 346.4191
MdlNumber: MFCD28016162
Smiles: O=C(Nc1ccc(c(c1)F)N1CCSCC1)OCc1ccccc1
Complexity: 401
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.6
CatalogNumber:
AI78377
ChemicalName:
Benzyl (3-fluoro-4-thiomorpholinophenyl)carbamate
CasNumber:
168828-71-5
MolecularFormula:
C18H19FN2O2S
MolecularWeight:
346.4191
MdlNumber:
MFCD28016162
Smiles:
O=C(Nc1ccc(c(c1)F)N1CCSCC1)OCc1ccccc1
Complexity:
401
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.6
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Smiles: CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Complexity: __
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Smiles:
CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Complexity:
__
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RotatableBondCount:
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Smiles: CCOC(=O)NC(=O)/C(=N/Nc1cc(C)cc(c1)C)/C(=O)C
Complexity: __
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Smiles:
CCOC(=O)NC(=O)/C(=N/Nc1cc(C)cc(c1)C)/C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: CCCCCCCCSc1ncc(n1C)C(=O)OC
Complexity: __
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HydrogenBondAcceptorCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCCCCCCCSc1ncc(n1C)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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