AA82314
1601-18-9 | Indomethacin methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA82314
ChemicalName
Indomethacin methyl ester
CasNumber
1601-18-9
MolecularFormula
C20H18ClNO4
MolecularWeight
371.8142
MdlNumber
MFCD01719291
Smiles
COC(=O)Cc1c2cc(OC)ccc2n(c1C)C(=O)c1ccc(cc1)Cl
Complexity
520
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
4.6
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CatalogNumber: AA82314
ChemicalName: Indomethacin methyl ester
CasNumber: 1601-18-9
MolecularFormula: C20H18ClNO4
MolecularWeight: 371.8142
MdlNumber: MFCD01719291
Smiles: COC(=O)Cc1c2cc(OC)ccc2n(c1C)C(=O)c1ccc(cc1)Cl
Complexity: 520
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 4.6
CatalogNumber:
AA82314
ChemicalName:
Indomethacin methyl ester
CasNumber:
1601-18-9
MolecularFormula:
C20H18ClNO4
MolecularWeight:
371.8142
MdlNumber:
MFCD01719291
Smiles:
COC(=O)Cc1c2cc(OC)ccc2n(c1C)C(=O)c1ccc(cc1)Cl
Complexity:
520
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nc(NC(=O)C)ccc1Cl
Complexity: 174
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nc(NC(=O)C)ccc1Cl
Complexity:
174
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(C)c(nc1=O)NC(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(C)c(nc1=O)NC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA82327
ChemicalName: Z-Ala-Ala-OH
CasNumber: 16012-70-7
MolecularFormula: C14H18N2O5
MolecularWeight: 294.3031
MdlNumber: MFCD00037234
Smiles: C[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)OCc1ccccc1
Complexity: 380
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
Xlogp3: 1.2
CatalogNumber:
AA82327
ChemicalName:
Z-Ala-Ala-OH
CasNumber:
16012-70-7
MolecularFormula:
C14H18N2O5
MolecularWeight:
294.3031
MdlNumber:
MFCD00037234
Smiles:
C[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)OCc1ccccc1
Complexity:
380
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
Xlogp3:
1.2