AB18509
208255-80-5 | Dapt
Manufacturer: A2B Chem
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CatalogNumber
AB18509
ChemicalName
Dapt
CasNumber
208255-80-5
MolecularFormula
C23H26F2N2O4
MolecularWeight
432.4603
MdlNumber
MFCD04974585
Smiles
O=C(N[C@H](C(=O)NC(c1ccccc1)C(=O)OC(C)(C)C)C)Cc1cc(F)cc(c1)F
Complexity
622
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
31
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
9
Xlogp3
3.7
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CatalogNumber: AB18509
ChemicalName: Dapt
CasNumber: 208255-80-5
MolecularFormula: C23H26F2N2O4
MolecularWeight: 432.4603
MdlNumber: MFCD04974585
Smiles: O=C(N[C@H](C(=O)NC(c1ccccc1)C(=O)OC(C)(C)C)C)Cc1cc(F)cc(c1)F
Complexity: 622
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 3.7
CatalogNumber:
AB18509
ChemicalName:
Dapt
CasNumber:
208255-80-5
MolecularFormula:
C23H26F2N2O4
MolecularWeight:
432.4603
MdlNumber:
MFCD04974585
Smiles:
O=C(N[C@H](C(=O)NC(c1ccccc1)C(=O)OC(C)(C)C)C)Cc1cc(F)cc(c1)F
Complexity:
622
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@H](c1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cc(F)cc(c1)F)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@H](c1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cc(F)cc(c1)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nc(NC(=O)N)nc(n1)C
Complexity: 188
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1nc(NC(=O)N)nc(n1)C
Complexity:
188
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)N)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)N)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__