AX24435
1958068-89-7 | (4AS,7aR)-tert-butyl hexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AX24435
ChemicalName
(4AS,7aR)-tert-butyl hexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate hydrochloride
CasNumber
1958068-89-7
MolecularFormula
C22H42Cl2N4O6
MolecularWeight
529.4981
MdlNumber
MFCD28892915
Smiles
O=C(N1C[C@H]2[C@@H](C1)NCCO2)OC(C)(C)C.O=C(N1C[C@@H]2[C@H](C1)NCCO2)OC(C)(C)C.Cl.Cl
Complexity
275
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AX24435
ChemicalName: (4AS,7aR)-tert-butyl hexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate hydrochloride
CasNumber: 1958068-89-7
MolecularFormula: C22H42Cl2N4O6
MolecularWeight: 529.4981
MdlNumber: MFCD28892915
Smiles: O=C(N1C[C@H]2[C@@H](C1)NCCO2)OC(C)(C)C.O=C(N1C[C@@H]2[C@H](C1)NCCO2)OC(C)(C)C.Cl.Cl
Complexity: 275
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AX24435
ChemicalName:
(4AS,7aR)-tert-butyl hexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carboxylate hydrochloride
CasNumber:
1958068-89-7
MolecularFormula:
C22H42Cl2N4O6
MolecularWeight:
529.4981
MdlNumber:
MFCD28892915
Smiles:
O=C(N1C[C@H]2[C@@H](C1)NCCO2)OC(C)(C)C.O=C(N1C[C@@H]2[C@H](C1)NCCO2)OC(C)(C)C.Cl.Cl
Complexity:
275
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
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Smiles: Brc1cnc2n1c(ccc2)C(F)(F)F
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Brc1cnc2n1c(ccc2)C(F)(F)F
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Smiles: CCOC(=O)C(c1nc2n(c1)nc(cc2)Cl)(C)C
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Smiles:
CCOC(=O)C(c1nc2n(c1)nc(cc2)Cl)(C)C
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Smiles: COc1ccc(cc1)CN1C(=O)c2c(C1=O)nccc2
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Smiles:
COc1ccc(cc1)CN1C(=O)c2c(C1=O)nccc2
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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