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Chemical ID: 7296936

Chemical ID:

7296936

Name [?]:

N,N-dimethyl-2-(7,7,9-trioxo-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-8-yl)-acetamide

SMILES [?]:

CN(C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O

InChi [?]:

InChI=1/C11H12N2O4S/c1-12(2)10(14)7-13-11(15)8-5-3-4-6-9(8)18(13,16)17/h3-6H,7H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,12,13,11,14,6,10,15,4,8,2,7,5,9,17,18,16/E:(1,2)(16,17)/CRV:18.6/rA:18nCNCCOCNCOCCCCCCSOO/rB:s1;s2;s2;d4;s4;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s7s15;d16;d16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₂N₂O₄S
All Atoms:	30
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	6.91492
Area:	423.197
Solvation:	-3.66501
Coulombic:	-32.3705

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	268.29
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	-0.09
LogP (Chemaxon):	-0.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value