AV18226
1715031-88-1 | tert-Butyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AV18226
ChemicalName
tert-Butyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
CasNumber
1715031-88-1
MolecularFormula
C15H16FN3O2
MolecularWeight
289.3048
MdlNumber
MFCD28991985
Smiles
O=C(c1ccc(cc1F)c1nccnc1N)OC(C)(C)C
Complexity
372
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2
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CatalogNumber: AV18226
ChemicalName: tert-Butyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
CasNumber: 1715031-88-1
MolecularFormula: C15H16FN3O2
MolecularWeight: 289.3048
MdlNumber: MFCD28991985
Smiles: O=C(c1ccc(cc1F)c1nccnc1N)OC(C)(C)C
Complexity: 372
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AV18226
ChemicalName:
tert-Butyl 4-(3-aminopyrazin-2-yl)-2-fluorobenzoate
CasNumber:
1715031-88-1
MolecularFormula:
C15H16FN3O2
MolecularWeight:
289.3048
MdlNumber:
MFCD28991985
Smiles:
O=C(c1ccc(cc1F)c1nccnc1N)OC(C)(C)C
Complexity:
372
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2
CatalogNumber: AV18227
ChemicalName: Octahydro-2H-pyrano[3,2-c]pyridine hydrochloride
CasNumber: 1363404-73-2
MolecularFormula: C8H16ClNO
MolecularWeight: 177.6717
MdlNumber: MFCD21607362
Smiles: C1COC2C(C1)CNCC2.Cl
Complexity: 116
Covalently-bondedUnitCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AV18227
ChemicalName:
Octahydro-2H-pyrano[3,2-c]pyridine hydrochloride
CasNumber:
1363404-73-2
MolecularFormula:
C8H16ClNO
MolecularWeight:
177.6717
MdlNumber:
MFCD21607362
Smiles:
C1COC2C(C1)CNCC2.Cl
Complexity:
116
Covalently-bondedUnitCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C[C@H](N1C(=O)c2c(C1=O)cccc2)C(=O)O)C
Complexity: 380
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C[C@H](N1C(=O)c2c(C1=O)cccc2)C(=O)O)C
Complexity:
380
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1[C@@H]2C[C@@H]([C@H]1C(=O)O)[C@H]1[C@@H]2OC(O1)(C)C)OC(C)(C)C
Complexity: 511
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1[C@@H]2C[C@@H]([C@H]1C(=O)O)[C@H]1[C@@H]2OC(O1)(C)C)OC(C)(C)C
Complexity:
511
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3