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67897-47-6 | 10-(((1-(2-HYDROXY-4-(PHENYLMETHOXY)PHENYL)PROPYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS No: 67897-47-6 Catalog No: AG005P3B MDL No:
Product Description
Catalog Number:
AG005P3B
Chemical Name:
10-(((1-(2-HYDROXY-4-(PHENYLMETHOXY)PHENYL)PROPYLIDENE)HYDRAZINO)ACETYL)-10H-PHENOTHIAZINE
CAS Number:
67897-47-6
Molecular Formula:
C30H27N3O3S
Molecular Weight:
509.6187
IUPAC Name:
2-[2-[1-(2-hydroxy-4-phenylmethoxyphenyl)propylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C30H27N3O3S/c1-2-24(23-17-16-22(18-27(23)34)36-20-21-10-4-3-5-11-21)32-31-19-30(35)33-25-12-6-8-14-28(25)37-29-15-9-7-13-26(29)33/h3-18,31,34H,2,19-20H2,1H3
InChI Key:
FVJOXRMCHBOKBW-UHFFFAOYSA-N
SMILES:
CCC(=NNCC(=O)N1c2ccccc2Sc2c1cccc2)c1ccc(cc1O)OCc1ccccc1
Properties
Complexity:
751
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.177g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
509.624g/mol
Monoisotopic Mass:
509.177g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.6
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