AD86706
886363-80-0 | 8-Amino-4-boc-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine
Manufacturer: A2B Chem
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CatalogNumber
AD86706
ChemicalName
8-Amino-4-boc-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine
CasNumber
886363-80-0
MolecularFormula
C14H21N3O2
MolecularWeight
263.3354
MdlNumber
MFCD07369816
Smiles
Nc1ccc2c(c1)NCCN(C2)C(=O)OC(C)(C)C
Complexity
327
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AD86706
ChemicalName: 8-Amino-4-boc-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine
CasNumber: 886363-80-0
MolecularFormula: C14H21N3O2
MolecularWeight: 263.3354
MdlNumber: MFCD07369816
Smiles: Nc1ccc2c(c1)NCCN(C2)C(=O)OC(C)(C)C
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AD86706
ChemicalName:
8-Amino-4-boc-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine
CasNumber:
886363-80-0
MolecularFormula:
C14H21N3O2
MolecularWeight:
263.3354
MdlNumber:
MFCD07369816
Smiles:
Nc1ccc2c(c1)NCCN(C2)C(=O)OC(C)(C)C
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.7
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Smiles: OC(=O)CC(c1cccc(c1)Cl)NC(=O)C
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Smiles:
OC(=O)CC(c1cccc(c1)Cl)NC(=O)C
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Smiles: OC(=O)C(c1ccccc1)N1CCC(=O)CC1
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Smiles:
OC(=O)C(c1ccccc1)N1CCC(=O)CC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C1OCCCC1c1ccc(c(c1)Cl)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1OCCCC1c1ccc(c(c1)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__