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1627494-13-6 | 4H-1-Benzopyran-6-carboxamide, 8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-
CAS No: 1627494-13-6 Catalog No: AG001TE3 MDL No:MFCD27987908
Product Description
Catalog Number:
AG001TE3
Chemical Name:
4H-1-Benzopyran-6-carboxamide, 8-[(1R)-1-[(3,5-difluorophenyl)amino]ethyl]-N,N-dimethyl-2-(4-morpholinyl)-4-oxo-
CAS Number:
1627494-13-6
Molecular Formula:
C24H25F2N3O4
Molecular Weight:
457.4698
MDL Number:
MFCD27987908
IUPAC Name:
8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
InChI:
InChI=1S/C24H25F2N3O4/c1-14(27-18-11-16(25)10-17(26)12-18)19-8-15(24(31)28(2)3)9-20-21(30)13-22(33-23(19)20)29-4-6-32-7-5-29/h8-14,27H,4-7H2,1-3H3/t14-/m1/s1
InChI Key:
LMJFJIDLEAWOQJ-CQSZACIVSA-N
SMILES:
Fc1cc(cc(c1)F)N[C@@H](c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C)C
UNII:
AIQ4OWD0RA
Properties
Complexity:
748
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
457.181g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
457.478g/mol
Monoisotopic Mass:
457.181g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Inhibition of PI3Kβ signaling with AZD8186 inhibits growth of PTEN-deficient breast and prostate tumors alone and in combination with docetaxel. | Molecular cancer therapeutics 20150101 |
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