AZ87418
868774-16-7 | (6S)-N-Benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AZ87418
ChemicalName
(6S)-N-Benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
CasNumber
868774-16-7
MolecularFormula
C33H32N4O4
MolecularWeight
548.6316
MdlNumber
MFCD12032107
Smiles
Oc1ccc(cc1)C[C@H]1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc1ccccc1)Cc1cccc2c1cccc2
Complexity
930
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
41
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
4.1
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CatalogNumber: AZ87418
ChemicalName: (6S)-N-Benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
CasNumber: 868774-16-7
MolecularFormula: C33H32N4O4
MolecularWeight: 548.6316
MdlNumber: MFCD12032107
Smiles: Oc1ccc(cc1)C[C@H]1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc1ccccc1)Cc1cccc2c1cccc2
Complexity: 930
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.1
CatalogNumber:
AZ87418
ChemicalName:
(6S)-N-Benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-ylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
CasNumber:
868774-16-7
MolecularFormula:
C33H32N4O4
MolecularWeight:
548.6316
MdlNumber:
MFCD12032107
Smiles:
Oc1ccc(cc1)C[C@H]1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc1ccccc1)Cc1cccc2c1cccc2
Complexity:
930
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.1
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Smiles: O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)N)O)Cc1ccccc1)COc1c(C)cccc1C.Cl
Complexity: __
Covalently-bondedUnitCount: __
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Smiles:
O=C(N[C@H]([C@H](C[C@H](Cc1ccccc1)N)O)Cc1ccccc1)COc1c(C)cccc1C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Cc1nc(Cl)n2c(c1Br)ncc2
Complexity: __
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Xlogp3: __
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__
ChemicalName:
__
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__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nc(Cl)n2c(c1Br)ncc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(c1ccc(c(c1)C(F)(F)F)F)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(c1ccc(c(c1)C(F)(F)F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__