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STK184232,ZINC00881677,BAS 02819129,AG-690/15430091, 3,4,,5-trimethoxy

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摘 要:STK184232,ZINC00881677,BAS 02819129,AG-690/15430091, 3,4,,5-trimethoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl],benzamide,Canonical SMILES: CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4,InChI: InChI=1/C24H23N5O4S/c1-
[Synonyms]
STK184232
ZINC00881677
BAS 02819129
AG-690/15430091

[Structure]
STK184232,ZINC00881677,BAS 02819129,AG-690/15430091, 3,4,,5-trimethoxy

[ Properties Computed from Structure]
Molecular Weight477.53552 [g/mol]
Molecular FormulaC24H23N5O4S
XLogP4
H-Bond Donor2
H-Bond Acceptor7
Rotatable Bond Count6
Tautomer Count8
Exact Mass477.147075
MonoIsotopic Mass477.147075
Topological Polar Surface Area99.5
Heavy Atom Count34
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3,4,
5-trimethoxy-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]
benzamide
Canonical SMILES: CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4
InChI: InChI=1/C24H23N5O4S/c1-14-10-18-19(28-29(27-18)16-8-6-5-7-9-16)13-17(14)
25-24(34)26-23(30)15-11-20(31-2)22(33-4)21(12-15)32-3/h5-13H,1-4H3,(H2,
25,26,30,34)/f/h25-26H

 
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