AV18573
1613722-45-4 | (S)-tert-Butyl 5-methyl-4-((R)-1-methyl-2-oxo-1,2,3,5-tetrahydrobenzo[5,6][1,4]oxazino[3,4-c][1,2,4]triazin-9-yl)-5,6-dihydropyridine-1(2H)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18573
ChemicalName
(S)-tert-Butyl 5-methyl-4-((R)-1-methyl-2-oxo-1,2,3,5-tetrahydrobenzo[5,6][1,4]oxazino[3,4-c][1,2,4]triazin-9-yl)-5,6-dihydropyridine-1(2H)-carboxylate
CasNumber
1613722-45-4
MolecularFormula
C22H28N4O4
MolecularWeight
412.4821
MdlNumber
MFCD28991945
Smiles
O=C1NN=C2N([C@@H]1C)c1cc(ccc1OC2)C1=CCN(C[C@H]1C)C(=O)OC(C)(C)C
Complexity
772
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
30
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AV18573
ChemicalName: (S)-tert-Butyl 5-methyl-4-((R)-1-methyl-2-oxo-1,2,3,5-tetrahydrobenzo[5,6][1,4]oxazino[3,4-c][1,2,4]triazin-9-yl)-5,6-dihydropyridine-1(2H)-carboxylate
CasNumber: 1613722-45-4
MolecularFormula: C22H28N4O4
MolecularWeight: 412.4821
MdlNumber: MFCD28991945
Smiles: O=C1NN=C2N([C@@H]1C)c1cc(ccc1OC2)C1=CCN(C[C@H]1C)C(=O)OC(C)(C)C
Complexity: 772
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AV18573
ChemicalName:
(S)-tert-Butyl 5-methyl-4-((R)-1-methyl-2-oxo-1,2,3,5-tetrahydrobenzo[5,6][1,4]oxazino[3,4-c][1,2,4]triazin-9-yl)-5,6-dihydropyridine-1(2H)-carboxylate
CasNumber:
1613722-45-4
MolecularFormula:
C22H28N4O4
MolecularWeight:
412.4821
MdlNumber:
MFCD28991945
Smiles:
O=C1NN=C2N([C@@H]1C)c1cc(ccc1OC2)C1=CCN(C[C@H]1C)C(=O)OC(C)(C)C
Complexity:
772
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(cc(c1)B(O)O)C(=O)Nc1cc(Cl)ccc1C
Complexity: 374
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(cc(c1)B(O)O)C(=O)Nc1cc(Cl)ccc1C
Complexity:
374
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C
Complexity: 660
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C
Complexity:
660
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC(C(=O)O)Cc1ccccc1F
Complexity: 267
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC(C(=O)O)Cc1ccccc1F
Complexity:
267
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3