AV18634
936801-42-2 | Ethyl 5-((tert-butoxycarbonyl)amino)-6-methylnicotinate
Manufacturer: A2B Chem
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CatalogNumber
AV18634
ChemicalName
Ethyl 5-((tert-butoxycarbonyl)amino)-6-methylnicotinate
CasNumber
936801-42-2
MolecularFormula
C14H20N2O4
MolecularWeight
280.3196
MdlNumber
MFCD18256584
Smiles
CCOC(=O)c1cnc(c(c1)NC(=O)OC(C)(C)C)C
Complexity
352
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2
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CatalogNumber: AV18634
ChemicalName: Ethyl 5-((tert-butoxycarbonyl)amino)-6-methylnicotinate
CasNumber: 936801-42-2
MolecularFormula: C14H20N2O4
MolecularWeight: 280.3196
MdlNumber: MFCD18256584
Smiles: CCOC(=O)c1cnc(c(c1)NC(=O)OC(C)(C)C)C
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2
CatalogNumber:
AV18634
ChemicalName:
Ethyl 5-((tert-butoxycarbonyl)amino)-6-methylnicotinate
CasNumber:
936801-42-2
MolecularFormula:
C14H20N2O4
MolecularWeight:
280.3196
MdlNumber:
MFCD18256584
Smiles:
CCOC(=O)c1cnc(c(c1)NC(=O)OC(C)(C)C)C
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2
CatalogNumber: AV18635
ChemicalName: Di-tert-butyl 3-bromo-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate
CasNumber: 1330766-42-1
MolecularFormula: C17H26BrN3O4
MolecularWeight: 416.31
MdlNumber: MFCD18074434
Smiles: O=C(n1nc2c(c1Br)CN(C2(C)C)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity: 553
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AV18635
ChemicalName:
Di-tert-butyl 3-bromo-6,6-dimethylpyrrolo[3,4-c]pyrazole-2,5(4H,6H)-dicarboxylate
CasNumber:
1330766-42-1
MolecularFormula:
C17H26BrN3O4
MolecularWeight:
416.31
MdlNumber:
MFCD18074434
Smiles:
O=C(n1nc2c(c1Br)CN(C2(C)C)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity:
553
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: AV18636
ChemicalName: 2-(2-(4-Fluorobenzyl)phenyl)acetic acid
CasNumber: 543741-43-1
MolecularFormula: C15H13FO2
MolecularWeight: 244.2609
MdlNumber: MFCD28387783
Smiles: OC(=O)Cc1ccccc1Cc1ccc(cc1)F
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AV18636
ChemicalName:
2-(2-(4-Fluorobenzyl)phenyl)acetic acid
CasNumber:
543741-43-1
MolecularFormula:
C15H13FO2
MolecularWeight:
244.2609
MdlNumber:
MFCD28387783
Smiles:
OC(=O)Cc1ccccc1Cc1ccc(cc1)F
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: AV18637
ChemicalName: Ethyl 4-hydroxychroman-2-carboxylate
CasNumber: 124524-76-1
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD30185145
Smiles: CCOC(=O)C1CC(O)c2c(O1)cccc2
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AV18637
ChemicalName:
Ethyl 4-hydroxychroman-2-carboxylate
CasNumber:
124524-76-1
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD30185145
Smiles:
CCOC(=O)C1CC(O)c2c(O1)cccc2
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5