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68026-83-5 | 10-(((1-(4-NITROPHENYL)ETHYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS No: 68026-83-5 Catalog No: AG005NWK MDL No:
Product Description
Catalog Number:
AG005NWK
Chemical Name:
10-(((1-(4-NITROPHENYL)ETHYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
68026-83-5
Molecular Formula:
C22H18N4O3S
Molecular Weight:
418.4683
IUPAC Name:
2-[2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C22H18N4O3S/c1-15(16-10-12-17(13-11-16)26(28)29)24-23-14-22(27)25-18-6-2-4-8-20(18)30-21-9-5-3-7-19(21)25/h2-13,23H,14H2,1H3
InChI Key:
DWCBKJQIXBYLHV-UHFFFAOYSA-N
SMILES:
O=C(N1c2ccccc2Sc2c1cccc2)CNN=C(c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.11g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.471g/mol
Monoisotopic Mass:
418.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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