AI06288
104146-10-3 | Gcle
Manufacturer: A2B Chem
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CatalogNumber
AI06288
ChemicalName
Gcle
CasNumber
104146-10-3
MolecularFormula
C24H23ClN2O5S
MolecularWeight
486.9678
MdlNumber
MFCD00191253
Smiles
ClCC1=C(C(=O)OCc2ccc(cc2)OC)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1ccccc1
Complexity
777
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
33
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
9
Xlogp3
2.7
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CatalogNumber: AI06288
ChemicalName: Gcle
CasNumber: 104146-10-3
MolecularFormula: C24H23ClN2O5S
MolecularWeight: 486.9678
MdlNumber: MFCD00191253
Smiles: ClCC1=C(C(=O)OCc2ccc(cc2)OC)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1ccccc1
Complexity: 777
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 9
Xlogp3: 2.7
CatalogNumber:
AI06288
ChemicalName:
Gcle
CasNumber:
104146-10-3
MolecularFormula:
C24H23ClN2O5S
MolecularWeight:
486.9678
MdlNumber:
MFCD00191253
Smiles:
ClCC1=C(C(=O)OCc2ccc(cc2)OC)N2[C@H](SC1)[C@@H](C2=O)NC(=O)Cc1ccccc1
Complexity:
777
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
9
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1ccc2c1cc(cc2)S(=O)(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1ccc2c1cc(cc2)S(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cccn1c1cnccn1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cccn1c1cnccn1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccccc1CS(=O)(=O)N1CCCCC1
Complexity: 412
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccccc1CS(=O)(=O)N1CCCCC1
Complexity:
412
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6