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Chemical ID: 7736022

COc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccccc3

Chemical ID:

7736022

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccccc3

InChi [?]:

InChI=1/C19H17N3O4S/c1-26-17-9-7-15(8-10-17)21-19(23)14-11-16(13-20-12-14)22-27(24,25)18-5-3-2-4-6-18/h2-13,22H,1H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,23,27,5,7,4,8,13,17,15,12,6,14,3,22,10,16,9,18,11,20,21,2,19/E:(3,4)(5,6)(7,8)(9,10)(24,25)/CRV:27.6/rA:27nCOCCCCCCNCOCCCCNCNSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s14;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇N₃O₄S
All Atoms:	44
Heavy Atoms:	27
Chiral Atoms:	None

ZAP Information [?]

Total:	9.91205
Area:	584.658
Solvation:	-4.70439
Coulombic:	-45.2365

Bond Count [?]

All:	29
Single:	17
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.35
LogP (Chemaxon):	None

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value