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Chemical ID: 7736115

c1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc4c(c3)OCCO4

Chemical ID:

7736115

Name [?]:

None

SMILES [?]:

c1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc4c(c3)OCCO4

InChi [?]:

InChI=1/C20H17N3O5S/c24-20(22-15-4-2-1-3-5-15)14-10-16(13-21-12-14)23-29(25,26)17-6-7-18-19(11-17)28-9-8-27-18/h1-7,10-13,23H,8-9H2,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,21,22,28,27,11,25,15,13,10,4,12,20,23,24,8,14,7,16,9,18,19,29,26,17/E:(2,3)(4,5)(25,26)/CRV:29.6/rA:29nCCCCCCNCOCCCCNCNSOOCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s12;s16;d17;d17;s17;s20;d21;s22;d23;d20s24;s24;s26;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇N₃O₅S
All Atoms:	46
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	9.99631
Area:	602.269
Solvation:	-5.06043
Coulombic:	-53.2848

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.05
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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