AB42180
309947-86-2 | tert-Butyl n-[(tert-butoxy)carbonyl]-n-(9h-purin-6-yl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AB42180
ChemicalName
tert-Butyl n-[(tert-butoxy)carbonyl]-n-(9h-purin-6-yl)carbamate
CasNumber
309947-86-2
MolecularFormula
C15H21N5O4
MolecularWeight
335.3583
MdlNumber
MFCD12031227
Smiles
O=C(N(c1ncnc2c1nc[nH]2)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity
457
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AB42180
ChemicalName: tert-Butyl n-[(tert-butoxy)carbonyl]-n-(9h-purin-6-yl)carbamate
CasNumber: 309947-86-2
MolecularFormula: C15H21N5O4
MolecularWeight: 335.3583
MdlNumber: MFCD12031227
Smiles: O=C(N(c1ncnc2c1nc[nH]2)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity: 457
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AB42180
ChemicalName:
tert-Butyl n-[(tert-butoxy)carbonyl]-n-(9h-purin-6-yl)carbamate
CasNumber:
309947-86-2
MolecularFormula:
C15H21N5O4
MolecularWeight:
335.3583
MdlNumber:
MFCD12031227
Smiles:
O=C(N(c1ncnc2c1nc[nH]2)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity:
457
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.4
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Smiles: S=C(Nc1ccccc1)NCC1CCCO1
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S=C(Nc1ccccc1)NCC1CCCO1
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Smiles: CC(=O)c1c(C)oc2c1cc(OCc1ccccc1)cc2
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CC(=O)c1c(C)oc2c1cc(OCc1ccccc1)cc2
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Smiles: OC(=O)CCN1C(=O)NC2C1NC(=O)N2
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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MolecularFormula:
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Smiles:
OC(=O)CCN1C(=O)NC2C1NC(=O)N2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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