AB65766
105297-10-7 | 4-(4-aminophenyl)thiomorpholine-1,1-dione
Manufacturer: A2B Chem
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CatalogNumber
AB65766
ChemicalName
4-(4-aminophenyl)thiomorpholine-1,1-dione
CasNumber
105297-10-7
MolecularFormula
C10H14N2O2S
MolecularWeight
226.2954
MdlNumber
MFCD06797046
Smiles
Nc1ccc(cc1)N1CCS(=O)(=O)CC1
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AB65766
ChemicalName: 4-(4-aminophenyl)thiomorpholine-1,1-dione
CasNumber: 105297-10-7
MolecularFormula: C10H14N2O2S
MolecularWeight: 226.2954
MdlNumber: MFCD06797046
Smiles: Nc1ccc(cc1)N1CCS(=O)(=O)CC1
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB65766
ChemicalName:
4-(4-aminophenyl)thiomorpholine-1,1-dione
CasNumber:
105297-10-7
MolecularFormula:
C10H14N2O2S
MolecularWeight:
226.2954
MdlNumber:
MFCD06797046
Smiles:
Nc1ccc(cc1)N1CCS(=O)(=O)CC1
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cnc(nc1OCc1ccccc1)N1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnc(nc1OCc1ccccc1)N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCN(CC1)c1ncnc2c1c(Br)c[nH]2)OC(C)(C)C
Complexity: 436
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)c1ncnc2c1c(Br)c[nH]2)OC(C)(C)C
Complexity:
436
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: AB65769
ChemicalName: 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester
CasNumber: 470478-90-1
MolecularFormula: C21H33BN2O4
MolecularWeight: 388.3087
MdlNumber: MFCD06411544
Smiles: O=C(N1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 543
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB65769
ChemicalName:
4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester
CasNumber:
470478-90-1
MolecularFormula:
C21H33BN2O4
MolecularWeight:
388.3087
MdlNumber:
MFCD06411544
Smiles:
O=C(N1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
543
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
__