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54118-09-1 | 1,3-DIETHYL-5-(3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-2-EN-1-YLIDENE)-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE
CAS No: 54118-09-1 Catalog No: AG00DTRU MDL No:
Product Description
Catalog Number:
AG00DTRU
Chemical Name:
1,3-DIETHYL-5-(3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-2-EN-1-YLIDENE)-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE
CAS Number:
54118-09-1
IUPAC Name:
1,3-diethyl-5-[3-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-2-en-1-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C24H27N3O2S2/c1-4-25-18-12-7-8-13-19(18)31-20(25)15-16-10-9-11-17(14-16)21-22(28)26(5-2)24(30)27(6-3)23(21)29/h7-8,12-15H,4-6,9-11H2,1-3H3
InChI Key:
WKVZDDZHIOADHB-UHFFFAOYSA-N
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.154g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.619g/mol
Monoisotopic Mass:
453.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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