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Chemical ID: 7736116

Cc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc4c(c3)OCCO4

Chemical ID:

7736116

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc4c(c3)OCCO4

InChi [?]:

InChI=1/C21H19N3O5S/c1-14-2-4-16(5-3-14)23-21(25)15-10-17(13-22-12-15)24-30(26,27)18-6-7-19-20(11-18)29-9-8-28-19/h2-7,10-13,24H,8-9H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,22,23,29,28,12,26,16,14,2,11,5,13,21,24,25,9,15,8,17,10,19,20,30,27,18/E:(2,3)(4,5)(26,27)/CRV:30.6/rA:30nCCCCCCCNCOCCCCNCNSOOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s13;s17;d18;d18;s18;s21;d22;s23;d24;d21s25;s25;s27;s28;s24s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉N₃O₅S
All Atoms:	49
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	10.5662
Area:	624.515
Solvation:	-5.04665
Coulombic:	-53.036

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.49
LogP (Chemaxon):	None

Name Annotations

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

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