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Chemical ID: 7736018

CCOc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccccc3

Chemical ID:

7736018

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccccc3

InChi [?]:

InChI=1/C20H19N3O4S/c1-2-27-18-10-8-16(9-11-18)22-20(24)15-12-17(14-21-13-15)23-28(25,26)19-6-4-3-5-7-19/h3-14,23H,2H2,1H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,26,25,27,24,28,6,8,5,9,14,18,16,13,7,15,4,23,11,17,10,19,12,21,22,3,20/E:(4,5)(6,7)(8,9)(10,11)(25,26)/CRV:28.6/rA:28nCCOCCCCCCNCOCCCCNCNSOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s15;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉N₃O₄S
All Atoms:	47
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	10.6886
Area:	612.48
Solvation:	-4.62342
Coulombic:	-45.5042

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.77
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