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Chemical ID: 4692868

Cc1cccc(c1)C(=O)NN=C2CS(=O)(=O)N(c3c2scc3)C

Chemical ID:

4692868

Name [?]:

3-methyl-N-[(2-methyl-3,3-dioxo-3$l^{6},7-dithia-2-azabicyclo[4.3.0]nona-8,10-dien-5-ylidene)amino]benzamide

SMILES [?]:

Cc1cccc(c1)C(=O)NN=C2CS(=O)(=O)N(c3c2scc3)C

InChi [?]:

InChI=1/C15H15N3O3S2/c1-10-4-3-5-11(8-10)15(19)17-16-12-9-23(20,21)18(2)13-6-7-22-14(12)13/h3-8H,9H2,1-2H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,23,4,3,5,22,21,7,13,2,6,12,18,19,8,11,10,17,9,15,16,20,14/E:(20,21)/CRV:23.6/rA:23cCCCCCCCCONNCCSOONCCSCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;w11;s12;s13;d14;d14;s14;s17;s12d18;s19;s20;s18d21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅N₃O₃S₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	8.23321
Area:	531.046
Solvation:	-5.04295
Coulombic:	-24.08

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	3
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	349.43
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.93
LogP (Chemaxon):	1.59

Name Annotations

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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