AV18610
1431434-22-8 | Ethyl (5-bromo-2-(6-fluoronicotinoyl)benzofuran-3-yl)(3-methoxypropyl)carbamate
Manufacturer: A2B Chem
CAS Number: 1431434-22-8
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Catalog Number
AV18610
Chemical Name
Ethyl (5-bromo-2-(6-fluoronicotinoyl)benzofuran-3-yl)(3-methoxypropyl)carbamate
Cas Number
1431434-22-8
Molecular Formula
C21H20BrFN2O5
Molecular Weight
479.2963
Mdl Number
MFCD30471769
Smiles
COCCCN(c1c(oc2c1cc(Br)cc2)C(=O)c1ccc(nc1)F)C(=O)OCC
Complexity
598
Covalently-Bonded Unit Count
1
Heavy Atom Count
30
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
9
Xlogp3
4.4
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Catalog Number: AV18610
Chemical Name: Ethyl (5-bromo-2-(6-fluoronicotinoyl)benzofuran-3-yl)(3-methoxypropyl)carbamate
Cas Number: 1431434-22-8
Molecular Formula: C21H20BrFN2O5
Molecular Weight: 479.2963
Mdl Number: MFCD30471769
Smiles: COCCCN(c1c(oc2c1cc(Br)cc2)C(=O)c1ccc(nc1)F)C(=O)OCC
Complexity: 598
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 30
Hydrogen Bond Acceptor Count: 7
Rotatable Bond Count: 9
Xlogp3: 4.4
Catalog Number:
AV18610
Chemical Name:
Ethyl (5-bromo-2-(6-fluoronicotinoyl)benzofuran-3-yl)(3-methoxypropyl)carbamate
Cas Number:
1431434-22-8
Molecular Formula:
C21H20BrFN2O5
Molecular Weight:
479.2963
Mdl Number:
MFCD30471769
Smiles:
COCCCN(c1c(oc2c1cc(Br)cc2)C(=O)c1ccc(nc1)F)C(=O)OCC
Complexity:
598
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
9
Xlogp3:
4.4
Catalog Number: AV18612
Chemical Name: 4-bromo-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
Cas Number: 439934-35-7
Molecular Formula: C13H11BrFNO2S
Molecular Weight: 344.1993
Mdl Number: MFCD02931815
Smiles: Brc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)F)C
Complexity: 390
Covalently-Bonded Unit Count: 1
Heavy Atom Count: 19
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 3
Xlogp3: 3.6
Catalog Number:
AV18612
Chemical Name:
4-bromo-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
Cas Number:
439934-35-7
Molecular Formula:
C13H11BrFNO2S
Molecular Weight:
344.1993
Mdl Number:
MFCD02931815
Smiles:
Brc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)F)C
Complexity:
390
Covalently-Bonded Unit Count:
1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Xlogp3:
3.6
Catalog Number: AV18613
Chemical Name: (1S,2S,4S,5R)-2-((R)-Hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinylquinuclidin-1-ium bromide
Cas Number: 101311-12-0
Molecular Formula: C27H28BrF3N2O
Molecular Weight: 533.4232
Mdl Number: MFCD00082432
Smiles: C=C[C@@H]1C[N+]2(CCC1C[C@H]2[C@@H](c1ccnc2c1cccc2)O)Cc1ccc(cc1)C(F)(F)F.[Br-]
Complexity: __
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: __
Catalog Number:
AV18613
Chemical Name:
(1S,2S,4S,5R)-2-((R)-Hydroxy(quinolin-4-yl)methyl)-1-(4-(trifluoromethyl)benzyl)-5-vinylquinuclidin-1-ium bromide
Cas Number:
101311-12-0
Molecular Formula:
C27H28BrF3N2O
Molecular Weight:
533.4232
Mdl Number:
MFCD00082432
Smiles:
C=C[C@@H]1C[N+]2(CCC1C[C@H]2[C@@H](c1ccnc2c1cccc2)O)Cc1ccc(cc1)C(F)(F)F.[Br-]
Complexity:
__
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
__
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: CCOC(=O)c1cncn1c1ccc(cc1)Br
Complexity: 267
Covalently-Bonded Unit Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Rotatable Bond Count: __
Xlogp3: 2.9
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
CCOC(=O)c1cncn1c1ccc(cc1)Br
Complexity:
267
Covalently-Bonded Unit Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Rotatable Bond Count:
__
Xlogp3:
2.9