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Home > Nitro Compounds > 66976-51-0
66976-51-0 | 2-MORPHOLINO-N-(4-(4-NITROPHENYLTHIO)PHENYL)ACETAMIDE
CAS No: 66976-51-0 Catalog No: AG005RW0 MDL No:
Product Description
Catalog Number:
AG005RW0
Chemical Name:
2-MORPHOLINO-N-(4-(4-NITROPHENYLTHIO)PHENYL)ACETAMIDE
CAS Number:
66976-51-0
Molecular Formula:
C18H19N3O4S
Molecular Weight:
373.4262
IUPAC Name:
2-morpholin-4-yl-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
InChI:
InChI=1S/C18H19N3O4S/c22-18(13-20-9-11-25-12-10-20)19-14-1-5-16(6-2-14)26-17-7-3-15(4-8-17)21(23)24/h1-8H,9-13H2,(H,19,22)
InChI Key:
RUKVPGISKRPCDA-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-])CN1CCOCC1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.427g/mol
Monoisotopic Mass:
373.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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