AE35992
1415716-58-3 | TG6-10-1
Manufacturer: A2B Chem
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CatalogNumber
AE35992
ChemicalName
TG6-10-1
CasNumber
1415716-58-3
MolecularFormula
C23H23F3N2O4
MolecularWeight
448.4349
MdlNumber
MFCD29472234
Smiles
COc1cc(/C=C/C(=O)NCCn2c3ccccc3cc2C(F)(F)F)cc(c1OC)OC
Complexity
631
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
4.2
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CatalogNumber: AE35992
ChemicalName: TG6-10-1
CasNumber: 1415716-58-3
MolecularFormula: C23H23F3N2O4
MolecularWeight: 448.4349
MdlNumber: MFCD29472234
Smiles: COc1cc(/C=C/C(=O)NCCn2c3ccccc3cc2C(F)(F)F)cc(c1OC)OC
Complexity: 631
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 4.2
CatalogNumber:
AE35992
ChemicalName:
TG6-10-1
CasNumber:
1415716-58-3
MolecularFormula:
C23H23F3N2O4
MolecularWeight:
448.4349
MdlNumber:
MFCD29472234
Smiles:
COc1cc(/C=C/C(=O)NCCn2c3ccccc3cc2C(F)(F)F)cc(c1OC)OC
Complexity:
631
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)N(C)C)Cl
Complexity: 752
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)N(C)C)Cl
Complexity:
752
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)Cc1ccc(cc1)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)Cc1ccc(cc1)c1cnc2c(c1)c(c[nH]2)c1ccc2c(c1)cc[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc2c(c1)ncn(c2=O)CC1(O)CCN(CC1)C(=O)CCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc2c(c1)ncn(c2=O)CC1(O)CCN(CC1)C(=O)CCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__