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Home > Fluorides > 103377-41-9
103377-41-9 | 1-Piperazinebutanamide, N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-4-(4-fluorophenyl)-
CAS No: 103377-41-9 Catalog No: AG001030 MDL No:MFCD00864686
Product Description
Catalog Number:
AG001030
Chemical Name:
1-Piperazinebutanamide, N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-4-(4-fluorophenyl)-
CAS Number:
103377-41-9
Molecular Formula:
C28H30FN3OS
Molecular Weight:
475.6207
MDL Number:
MFCD00864686
IUPAC Name:
N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]butanamide
InChI:
InChI=1S/C28H30FN3OS/c29-22-11-13-23(14-12-22)32-18-16-31(17-19-32)15-5-10-27(33)30-28-24-7-2-1-6-21(24)20-34-26-9-4-3-8-25(26)28/h1-4,6-9,11-14,28H,5,10,15-20H2,(H,30,33)
InChI Key:
WFNRNNUZFPVBSM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1CCN(CC1)CCCC(=O)NC1c2ccccc2SCc2c1cccc2
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.209g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
475.626g/mol
Monoisotopic Mass:
475.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Inhibition of vasoconstriction by AJ-2615, a novel calcium antagonist with alpha(1)-adrenergic receptor blocking activity in human conduit arteries used as bypass grafts. | British journal of clinical pharmacology 20010901 |
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