AB72042
74772-77-3 | 5-(4-((1-Methylcyclohexyl)methoxy)benzyl)thiazolidine-2,4-dione
Manufacturer: A2B Chem
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CatalogNumber
AB72042
ChemicalName
5-(4-((1-Methylcyclohexyl)methoxy)benzyl)thiazolidine-2,4-dione
CasNumber
74772-77-3
MolecularFormula
C18H23NO3S
MolecularWeight
333.4451
MdlNumber
MFCD00865499
Smiles
O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCCCC1
Complexity
440
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
4.8
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CatalogNumber: AB72042
ChemicalName: 5-(4-((1-Methylcyclohexyl)methoxy)benzyl)thiazolidine-2,4-dione
CasNumber: 74772-77-3
MolecularFormula: C18H23NO3S
MolecularWeight: 333.4451
MdlNumber: MFCD00865499
Smiles: O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCCCC1
Complexity: 440
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.8
CatalogNumber:
AB72042
ChemicalName:
5-(4-((1-Methylcyclohexyl)methoxy)benzyl)thiazolidine-2,4-dione
CasNumber:
74772-77-3
MolecularFormula:
C18H23NO3S
MolecularWeight:
333.4451
MdlNumber:
MFCD00865499
Smiles:
O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCCCC1
Complexity:
440
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CCCCC1
Complexity: 485
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCc2c(N1)ccc(c2)OCCCCc1nnnn1C1CCCCC1
Complexity:
485
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cc(ccc1N)C(CNC(C)C)O
Complexity: 258
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc(ccc1N)C(CNC(C)C)O
Complexity:
258
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC1CN2CCC1CC2C(c1ccnc2c1cccc2)O
Complexity: 412
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC1CN2CCC1CC2C(c1ccnc2c1cccc2)O
Complexity:
412
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.7