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Home > Fluorides > 150151-15-8
150151-15-8 | 1H-1,4-Diazepine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]hexahydro-4-(3-phenylpropyl)-
CAS No: 150151-15-8 Catalog No: AG001MD4 MDL No:
Product Description
Catalog Number:
AG001MD4
Chemical Name:
1H-1,4-Diazepine, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]hexahydro-4-(3-phenylpropyl)-
CAS Number:
150151-15-8
Molecular Formula:
C29H34F2N2O
Molecular Weight:
464.5899
IUPAC Name:
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)-1,4-diazepane
InChI:
InChI=1S/C29H34F2N2O/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)34-23-22-33-19-5-18-32(20-21-33)17-4-8-24-6-2-1-3-7-24/h1-3,6-7,9-16,29H,4-5,8,17-23H2
InChI Key:
DUNNQMCSUALPMK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(c1ccc(cc1)F)OCCN1CCCN(CC1)CCCc1ccccc1
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.264g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.601g/mol
Monoisotopic Mass:
464.264g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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