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20749-78-4 | 2-PYRAZOLIN-5-ONE, 4-[7-[(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHYLIDENE]-3-METHYL-1-PHENYL-
CAS No: 20749-78-4 Catalog No: AG00BBMV MDL No:
Product Description
Catalog Number:
AG00BBMV
Chemical Name:
2-PYRAZOLIN-5-ONE, 4-[7-[(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)METHYL]-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHYLIDENE]-3-METHYL-1-PHENYL-
CAS Number:
20749-78-4
IUPAC Name:
(4Z)-4-[7-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4,4a,5,6-tetrahydro-3H-naphthalen-2-ylidene]-5-methyl-2-phenylpyrazol-3-one
InChI:
InChI=1S/C30H29N3OS/c1-3-32-26-11-7-8-12-27(26)35-28(32)18-21-13-14-22-15-16-23(19-24(22)17-21)29-20(2)31-33(30(29)34)25-9-5-4-6-10-25/h4-12,17-19,22H,3,13-16H2,1-2H3/b28-18-,29-23-
InChI Key:
HTODDHBUXVVCJR-ZAKWLAKTSA-N
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
479.203g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
479.642g/mol
Monoisotopic Mass:
479.203g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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