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Chemical ID: 7700431

Cc1ccc(c(c1)C)NC(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)OC

Chemical ID:

7700431

Name [?]:

None

SMILES [?]:

Cc1ccc(c(c1)C)NC(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C22H22N2O4S/c1-15-4-13-21(16(2)14-15)23-22(25)17-5-7-18(8-6-17)24-29(26,27)20-11-9-19(28-3)10-12-20/h4-14,24H,1-3H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,8,29,3,13,17,14,16,24,26,23,27,4,7,2,6,12,15,25,22,5,10,9,18,11,20,21,28,19/E:(5,6)(7,8)(9,10)(11,12)(26,27)/CRV:29.6/rA:29nCCCCCCCCNCOCCCCCCNSOOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂N₂O₄S
All Atoms:	51
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	11.3197
Area:	627.935
Solvation:	-4.37864
Coulombic:	-41.4098

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.26
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