AB98870
886364-30-3 | 4-Boc-7-bromo-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine
Manufacturer: A2B Chem
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CatalogNumber
AB98870
ChemicalName
4-Boc-7-bromo-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine
CasNumber
886364-30-3
MolecularFormula
C14H19BrN2O2
MolecularWeight
327.2169
MdlNumber
MFCD07369867
Smiles
Brc1ccc2c(c1)CN(CCN2)C(=O)OC(C)(C)C
Complexity
330
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AB98870
ChemicalName: 4-Boc-7-bromo-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine
CasNumber: 886364-30-3
MolecularFormula: C14H19BrN2O2
MolecularWeight: 327.2169
MdlNumber: MFCD07369867
Smiles: Brc1ccc2c(c1)CN(CCN2)C(=O)OC(C)(C)C
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB98870
ChemicalName:
4-Boc-7-bromo-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine
CasNumber:
886364-30-3
MolecularFormula:
C14H19BrN2O2
MolecularWeight:
327.2169
MdlNumber:
MFCD07369867
Smiles:
Brc1ccc2c(c1)CN(CCN2)C(=O)OC(C)(C)C
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
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Smiles: O=C(OC(C)(C)C)NCC(C(=O)O)Cc1ccc(cc1)Br
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Smiles:
O=C(OC(C)(C)C)NCC(C(=O)O)Cc1ccc(cc1)Br
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Smiles: NCC(c1ccc(cc1)OC)N1CCC(C1)C(=O)O
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NCC(c1ccc(cc1)OC)N1CCC(C1)C(=O)O
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Smiles: NCC(c1ccc(cc1)F)N1CCC(C1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCC(c1ccc(cc1)F)N1CCC(C1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__