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Chemical ID: 4655928

Cc1ccc(cc1)S(=O)(=O)Nc2nc(c(s2)C(=O)NN=Cc3ccccc3)C

Chemical ID:

4655928

Name [?]:

N-benzylideneamino-4-methyl-2-(p-tolylsulfonylamino)thiazole-5-carboxamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)Nc2nc(c(s2)C(=O)NN=Cc3ccccc3)C

InChi [?]:

InChI=1/C19H18N4O3S2/c1-13-8-10-16(11-9-13)28(25,26)23-19-21-14(2)17(27-19)18(24)22-20-12-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,23)(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,28,25,24,26,23,27,3,7,4,6,21,2,14,22,5,15,17,12,20,13,19,11,18,9,10,16,8/E:(4,5)(6,7)(8,9)(10,11)(25,26)/CRV:28.6/rA:28nCCCCCCCSOONCNCCSCONNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;d12;s13;d14;s12s15;s15;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₈N₄O₃S₂
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2204
Area:	597.74
Solvation:	-3.72307
Coulombic:	-38.6794

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	414.503
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.83
LogP (Chemaxon):	0.35

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value