AE28816
1197815-67-0 | tert-Butyl 2'-(tert-butyl)-7'-oxo-6',7'-dihydro-2'h-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE28816
ChemicalName
tert-Butyl 2'-(tert-butyl)-7'-oxo-6',7'-dihydro-2'h-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-1-carboxylate
CasNumber
1197815-67-0
MolecularFormula
C19H29N3O4
MolecularWeight
363.4513
MdlNumber
MFCD17926162
Smiles
O=C(N1CCC2(CC1)CC(=O)c1c(O2)cn(n1)C(C)(C)C)OC(C)(C)C
Complexity
570
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AE28816
ChemicalName: tert-Butyl 2'-(tert-butyl)-7'-oxo-6',7'-dihydro-2'h-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-1-carboxylate
CasNumber: 1197815-67-0
MolecularFormula: C19H29N3O4
MolecularWeight: 363.4513
MdlNumber: MFCD17926162
Smiles: O=C(N1CCC2(CC1)CC(=O)c1c(O2)cn(n1)C(C)(C)C)OC(C)(C)C
Complexity: 570
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AE28816
ChemicalName:
tert-Butyl 2'-(tert-butyl)-7'-oxo-6',7'-dihydro-2'h-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazole]-1-carboxylate
CasNumber:
1197815-67-0
MolecularFormula:
C19H29N3O4
MolecularWeight:
363.4513
MdlNumber:
MFCD17926162
Smiles:
O=C(N1CCC2(CC1)CC(=O)c1c(O2)cn(n1)C(C)(C)C)OC(C)(C)C
Complexity:
570
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.2
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Smiles: Cc1cc(Cl)cc(c1)S(=O)(=O)Cl
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Cc1cc(Cl)cc(c1)S(=O)(=O)Cl
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Smiles: NNc1cc(C)c(c(c1C)C)C.Cl
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NNc1cc(C)c(c(c1C)C)C.Cl
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Smiles: CC(C)(C)N(CC=C)C(=O)C=C
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Smiles:
CC(C)(C)N(CC=C)C(=O)C=C
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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