AV18629
1642303-04-5 | (3S)-2-(4-Bromo-2-fluorobenzyl)-3-methyl-6-phenyl-1,2-thiazinane 1,1-dioxide
Manufacturer: A2B Chem
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CatalogNumber
AV18629
ChemicalName
(3S)-2-(4-Bromo-2-fluorobenzyl)-3-methyl-6-phenyl-1,2-thiazinane 1,1-dioxide
CasNumber
1642303-04-5
MolecularFormula
C18H19BrFNO2S
MolecularWeight
412.3164
MdlNumber
MFCD30185794
Smiles
Brc1ccc(c(c1)F)CN1[C@@H](C)CCC(S1(=O)=O)c1ccccc1
Complexity
518
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
4.2
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CatalogNumber: AV18629
ChemicalName: (3S)-2-(4-Bromo-2-fluorobenzyl)-3-methyl-6-phenyl-1,2-thiazinane 1,1-dioxide
CasNumber: 1642303-04-5
MolecularFormula: C18H19BrFNO2S
MolecularWeight: 412.3164
MdlNumber: MFCD30185794
Smiles: Brc1ccc(c(c1)F)CN1[C@@H](C)CCC(S1(=O)=O)c1ccccc1
Complexity: 518
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.2
CatalogNumber:
AV18629
ChemicalName:
(3S)-2-(4-Bromo-2-fluorobenzyl)-3-methyl-6-phenyl-1,2-thiazinane 1,1-dioxide
CasNumber:
1642303-04-5
MolecularFormula:
C18H19BrFNO2S
MolecularWeight:
412.3164
MdlNumber:
MFCD30185794
Smiles:
Brc1ccc(c(c1)F)CN1[C@@H](C)CCC(S1(=O)=O)c1ccccc1
Complexity:
518
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.2
CatalogNumber: AV18630
ChemicalName: N-Allyl-4-(2-chlorophenyl)thiazol-2-amine
CasNumber: 21344-92-3
MolecularFormula: C12H11ClN2S
MolecularWeight: 250.7471
MdlNumber: MFCD09370409
Smiles: C=CCN=c1scc([nH]1)c1ccccc1Cl
Complexity: 237
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 4.2
CatalogNumber:
AV18630
ChemicalName:
N-Allyl-4-(2-chlorophenyl)thiazol-2-amine
CasNumber:
21344-92-3
MolecularFormula:
C12H11ClN2S
MolecularWeight:
250.7471
MdlNumber:
MFCD09370409
Smiles:
C=CCN=c1scc([nH]1)c1ccccc1Cl
Complexity:
237
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#C[C@@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COC(=O)c1ccccc1
Complexity: 1160
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#C[C@@]1(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COC(=O)c1ccccc1
Complexity:
1160
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7
CatalogNumber: AV18633
ChemicalName: 2-(2-Methoxypyridin-4-yl)ethanamine dihydrochloride
CasNumber: 170026-02-5
MolecularFormula: C8H14Cl2N2O
MolecularWeight: 225.1156
MdlNumber: MFCD28991725
Smiles: NCCc1ccnc(c1)OC.Cl.Cl
Complexity: 108
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AV18633
ChemicalName:
2-(2-Methoxypyridin-4-yl)ethanamine dihydrochloride
CasNumber:
170026-02-5
MolecularFormula:
C8H14Cl2N2O
MolecularWeight:
225.1156
MdlNumber:
MFCD28991725
Smiles:
NCCc1ccnc(c1)OC.Cl.Cl
Complexity:
108
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
__