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88330-37-4 | Methanone, (2-methyl-2H-thiepino[4,5-c]pyrrole-5,7-diyl)bis[phenyl-
CAS No: 88330-37-4 Catalog No: AG0047D2 MDL No:
Product Description
Catalog Number:
AG0047D2
Chemical Name:
Methanone, (2-methyl-2H-thiepino[4,5-c]pyrrole-5,7-diyl)bis[phenyl-
CAS Number:
88330-37-4
Molecular Formula:
C23H17NO2S
Molecular Weight:
371.4516
IUPAC Name:
(5-benzoyl-2-methylthiepino[4,5-c]pyrrol-7-yl)-phenylmethanone
InChI:
InChI=1S/C23H17NO2S/c1-24-14-18-12-20(22(25)16-8-4-2-5-9-16)27-21(13-19(18)15-24)23(26)17-10-6-3-7-11-17/h2-15H,1H3
InChI Key:
LDTHHXXTMQEWMS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C1=Cc2cn(cc2C=C(S1)C(=O)c1ccccc1)C
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.098g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.454g/mol
Monoisotopic Mass:
371.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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