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Home > Fluorides > 151077-62-2
151077-62-2 | 1H-Pyrrole-1-butanamide, 2,5-dihydro-2,5-dioxo-N-[3-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]-
CAS No: 151077-62-2 Catalog No: AG001N2F MDL No:
Product Description
Catalog Number:
AG001N2F
Chemical Name:
1H-Pyrrole-1-butanamide, 2,5-dihydro-2,5-dioxo-N-[3-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]-
CAS Number:
151077-62-2
Molecular Formula:
C16H13F3N4O3
Molecular Weight:
366.2946
IUPAC Name:
4-(2,5-dioxopyrrol-1-yl)-N-[2-[3-(trifluoromethyl)diazirin-3-yl]phenyl]butanamide
InChI:
InChI=1S/C16H13F3N4O3/c17-16(18,19)15(21-22-15)10-4-1-2-5-11(10)20-12(24)6-3-9-23-13(25)7-8-14(23)26/h1-2,4-5,7-8H,3,6,9H2,(H,20,24)
InChI Key:
QNSOHJHPIVRYQN-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)C1(N=N1)C(F)(F)F)CCCN1C(=O)C=CC1=O
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.094g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.3g/mol
Monoisotopic Mass:
366.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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