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265312-18-3 | 2,5-Cyclohexadien-1-one, 4-(2-benzothiazolyl)-4-propoxy-
CAS No: 265312-18-3 Catalog No: AG007LC6 MDL No:
Product Description
Catalog Number:
AG007LC6
Chemical Name:
2,5-Cyclohexadien-1-one, 4-(2-benzothiazolyl)-4-propoxy-
CAS Number:
265312-18-3
Molecular Formula:
C16H15NO2S
Molecular Weight:
285.3608
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-4-propoxycyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C16H15NO2S/c1-2-11-19-16(9-7-12(18)8-10-16)15-17-13-5-3-4-6-14(13)20-15/h3-10H,2,11H2,1H3
InChI Key:
ZTNISCNCNSHFFC-UHFFFAOYSA-N
SMILES:
CCCOC1(C=CC(=O)C=C1)c1nc2c(s1)cccc2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.361g/mol
Monoisotopic Mass:
285.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 4-Substituted 4-hydroxycyclohexa-2,5-dien-1-ones with selective activities against colon and renal cancer cell lines. | Journal of medicinal chemistry 20030213 |
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