AI16326
1251012-02-8 | 6-tert-Butyl 2-ethyl 7,8-dihydro-4h-thiazolo[4,5-d]azepine-2,6(5h)-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI16326
ChemicalName
6-tert-Butyl 2-ethyl 7,8-dihydro-4h-thiazolo[4,5-d]azepine-2,6(5h)-dicarboxylate
CasNumber
1251012-02-8
MolecularFormula
C15H22N2O4S
MolecularWeight
326.4112
MdlNumber
MFCD15530218
Smiles
CCOC(=O)c1nc2c(s1)CCN(CC2)C(=O)OC(C)(C)C
Complexity
424
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
6
RotatableBondCount
5
Xlogp3
2.8
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CatalogNumber: AI16326
ChemicalName: 6-tert-Butyl 2-ethyl 7,8-dihydro-4h-thiazolo[4,5-d]azepine-2,6(5h)-dicarboxylate
CasNumber: 1251012-02-8
MolecularFormula: C15H22N2O4S
MolecularWeight: 326.4112
MdlNumber: MFCD15530218
Smiles: CCOC(=O)c1nc2c(s1)CCN(CC2)C(=O)OC(C)(C)C
Complexity: 424
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: 2.8
CatalogNumber:
AI16326
ChemicalName:
6-tert-Butyl 2-ethyl 7,8-dihydro-4h-thiazolo[4,5-d]azepine-2,6(5h)-dicarboxylate
CasNumber:
1251012-02-8
MolecularFormula:
C15H22N2O4S
MolecularWeight:
326.4112
MdlNumber:
MFCD15530218
Smiles:
CCOC(=O)c1nc2c(s1)CCN(CC2)C(=O)OC(C)(C)C
Complexity:
424
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H]1CC[C@H]2[C@H](N1C(=O)OCc1ccccc1)CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H]1CC[C@H]2[C@H](N1C(=O)OCc1ccccc1)CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI16328
ChemicalName: 3-Hydroxy-1,5,6,7-tetrahydro-pyrazolo[4,3-b]pyridine-4-carboxylic acid tert-butyl ester
CasNumber: 1251012-11-9
MolecularFormula: C11H17N3O3
MolecularWeight: 239.271
MdlNumber: MFCD18089862
Smiles: O=C(N1CCCc2c1c(O)n[nH]2)OC(C)(C)C
Complexity: 395
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AI16328
ChemicalName:
3-Hydroxy-1,5,6,7-tetrahydro-pyrazolo[4,3-b]pyridine-4-carboxylic acid tert-butyl ester
CasNumber:
1251012-11-9
MolecularFormula:
C11H17N3O3
MolecularWeight:
239.271
MdlNumber:
MFCD18089862
Smiles:
O=C(N1CCCc2c1c(O)n[nH]2)OC(C)(C)C
Complexity:
395
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1CC[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H]1CC[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__