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850349-16-5 | Ethanone,2-(2-bromophenyl)-1-[hexahydro-4-(2-pyridinyl)-1H-1,4-diazepin-1-yl]-
CAS No: 850349-16-5 Catalog No: AG004ZVE MDL No:
Product Description
Catalog Number:
AG004ZVE
Chemical Name:
Ethanone,2-(2-bromophenyl)-1-[hexahydro-4-(2-pyridinyl)-1H-1,4-diazepin-1-yl]-
CAS Number:
850349-16-5
Molecular Formula:
C18H20BrN3O
Molecular Weight:
374.2749
IUPAC Name:
2-(2-bromophenyl)-1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
InChI:
InChI=1S/C18H20BrN3O/c19-16-7-2-1-6-15(16)14-18(23)22-11-5-10-21(12-13-22)17-8-3-4-9-20-17/h1-4,6-9H,5,10-14H2
InChI Key:
KFQVLKNHTBEHSN-UHFFFAOYSA-N
SMILES:
O=C(N1CCCN(CC1)c1ccccn1)Cc1ccccc1Br
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.282g/mol
Monoisotopic Mass:
373.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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