AV18288
1422344-07-7 | tert-Butyl ((2-benzyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AV18288
ChemicalName
tert-Butyl ((2-benzyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate
CasNumber
1422344-07-7
MolecularFormula
C19H25N3O3
MolecularWeight
343.4201
MdlNumber
MFCD28657180
Smiles
O=C(OC(C)(C)C)NCC1OCCc2c1nn(c2)Cc1ccccc1
Complexity
446
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AV18288
ChemicalName: tert-Butyl ((2-benzyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate
CasNumber: 1422344-07-7
MolecularFormula: C19H25N3O3
MolecularWeight: 343.4201
MdlNumber: MFCD28657180
Smiles: O=C(OC(C)(C)C)NCC1OCCc2c1nn(c2)Cc1ccccc1
Complexity: 446
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AV18288
ChemicalName:
tert-Butyl ((2-benzyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-7-yl)methyl)carbamate
CasNumber:
1422344-07-7
MolecularFormula:
C19H25N3O3
MolecularWeight:
343.4201
MdlNumber:
MFCD28657180
Smiles:
O=C(OC(C)(C)C)NCC1OCCc2c1nn(c2)Cc1ccccc1
Complexity:
446
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=CC=C(C=C1)C2(CCOCC2)CN.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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Smiles:
COC1=CC=C(C=C1)C2(CCOCC2)CN.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1C2CC(N1C(=O)OC(C)(C)C)C[C@@H]2F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)[C@@H]1C2CC(N1C(=O)OC(C)(C)C)C[C@@H]2F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc2-c3c(C(=O)c12)cccc3
Complexity: 276
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc2-c3c(C(=O)c12)cccc3
Complexity:
276
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7