AX40002
899713-86-1 | ML348
Manufacturer: A2B Chem
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CatalogNumber
AX40002
ChemicalName
ML348
CasNumber
899713-86-1
MolecularFormula
C18H17ClF3N3O3
MolecularWeight
415.7941
MdlNumber
MFCD05123530
Smiles
O=C(Nc1cc(ccc1Cl)C(F)(F)F)CN1CCN(CC1)C(=O)c1ccco1
Complexity
570
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3
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CatalogNumber: AX40002
ChemicalName: ML348
CasNumber: 899713-86-1
MolecularFormula: C18H17ClF3N3O3
MolecularWeight: 415.7941
MdlNumber: MFCD05123530
Smiles: O=C(Nc1cc(ccc1Cl)C(F)(F)F)CN1CCN(CC1)C(=O)c1ccco1
Complexity: 570
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3
CatalogNumber:
AX40002
ChemicalName:
ML348
CasNumber:
899713-86-1
MolecularFormula:
C18H17ClF3N3O3
MolecularWeight:
415.7941
MdlNumber:
MFCD05123530
Smiles:
O=C(Nc1cc(ccc1Cl)C(F)(F)F)CN1CCN(CC1)C(=O)c1ccco1
Complexity:
570
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(c(c1Cl)C)N1[C@@H]2CC[C@H]1C[C@@](C2)(C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1ccc(c(c1Cl)C)N1[C@@H]2CC[C@H]1C[C@@](C2)(C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CC1=CCCC(C1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CC1=CCCC(C1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__