AI17440
1261297-63-5 | tert-Butyl 6-fluoro-1,4-diazepane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI17440
ChemicalName
tert-Butyl 6-fluoro-1,4-diazepane-1-carboxylate
CasNumber
1261297-63-5
MolecularFormula
C10H19FN2O2
MolecularWeight
218.26846319999993
MdlNumber
MFCD18791252
Smiles
FC1CNCCN(C1)C(=O)OC(C)(C)C
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AI17440
ChemicalName: tert-Butyl 6-fluoro-1,4-diazepane-1-carboxylate
CasNumber: 1261297-63-5
MolecularFormula: C10H19FN2O2
MolecularWeight: 218.26846319999993
MdlNumber: MFCD18791252
Smiles: FC1CNCCN(C1)C(=O)OC(C)(C)C
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AI17440
ChemicalName:
tert-Butyl 6-fluoro-1,4-diazepane-1-carboxylate
CasNumber:
1261297-63-5
MolecularFormula:
C10H19FN2O2
MolecularWeight:
218.26846319999993
MdlNumber:
MFCD18791252
Smiles:
FC1CNCCN(C1)C(=O)OC(C)(C)C
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(cc1)C(C(=O)O)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(cc1)C(C(=O)O)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI17442
ChemicalName: 3-Methoxy-1,5-naphthyridine
CasNumber: 1261365-35-8
MolecularFormula: C9H8N2O
MolecularWeight: 160.1726
MdlNumber: MFCD18374116
Smiles: COc1cnc2c(c1)nccc2
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
AI17442
ChemicalName:
3-Methoxy-1,5-naphthyridine
CasNumber:
1261365-35-8
MolecularFormula:
C9H8N2O
MolecularWeight:
160.1726
MdlNumber:
MFCD18374116
Smiles:
COc1cnc2c(c1)nccc2
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(c1c2cc[nH]c2ncc1C(F)(F)F)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(c1c2cc[nH]c2ncc1C(F)(F)F)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__