AA42409
1272758-13-0 | 1,2,3,4,4A,5-Hexahydrobenzo[b]pyrazino[1,2-d][1,4]diazepin-6(7h)-one 2hcl
Manufacturer: A2B Chem
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CatalogNumber
AA42409
ChemicalName
1,2,3,4,4A,5-Hexahydrobenzo[b]pyrazino[1,2-d][1,4]diazepin-6(7h)-one 2hcl
CasNumber
1272758-13-0
MolecularFormula
C12H17Cl2N3O
MolecularWeight
290.1889
MdlNumber
MFCD18711457
Smiles
O=C1CC2CNCCN2c2c(N1)cccc2.Cl.Cl
Complexity
281
Covalently-bondedUnitCount
3
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
4
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA42409
ChemicalName: 1,2,3,4,4A,5-Hexahydrobenzo[b]pyrazino[1,2-d][1,4]diazepin-6(7h)-one 2hcl
CasNumber: 1272758-13-0
MolecularFormula: C12H17Cl2N3O
MolecularWeight: 290.1889
MdlNumber: MFCD18711457
Smiles: O=C1CC2CNCCN2c2c(N1)cccc2.Cl.Cl
Complexity: 281
Covalently-bondedUnitCount: 3
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 4
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA42409
ChemicalName:
1,2,3,4,4A,5-Hexahydrobenzo[b]pyrazino[1,2-d][1,4]diazepin-6(7h)-one 2hcl
CasNumber:
1272758-13-0
MolecularFormula:
C12H17Cl2N3O
MolecularWeight:
290.1889
MdlNumber:
MFCD18711457
Smiles:
O=C1CC2CNCCN2c2c(N1)cccc2.Cl.Cl
Complexity:
281
Covalently-bondedUnitCount:
3
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
4
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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Smiles: O=C(N1CC2(C1)CCCN2)OCc1ccccc1
Complexity: __
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Smiles:
O=C(N1CC2(C1)CCCN2)OCc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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Smiles: CCOC(=O)CCc1ccc2c(n1)N(CCC2)C(=O)OC(C)(C)C
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Smiles:
CCOC(=O)CCc1ccc2c(n1)N(CCC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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UndefinedAtomStereocenterCount:
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Smiles: COC(=O)C1COC(CN1C(=O)OC(C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)C1COC(CN1C(=O)OC(C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__