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Chemical ID: 7736066

Cc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2)C(=O)Nc3ccc(c(c3)OC)OC

Chemical ID:

7736066

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2)C(=O)Nc3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C21H21N3O5S/c1-14-4-7-18(8-5-14)30(26,27)24-17-10-15(12-22-13-17)21(25)23-16-6-9-19(28-2)20(11-16)29-3/h4-13,24H,1-3H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,30,28,3,7,22,4,6,23,13,26,15,17,2,14,21,12,5,24,25,18,16,20,11,19,9,10,29,27,8/E:(4,5)(7,8)(26,27)/CRV:30.6/rA:30nCCCCCCCSOONCCCCNCCONCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s14;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁N₃O₅S
All Atoms:	51
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	9.32123
Area:	643.686
Solvation:	-6.77092
Coulombic:	-51.163

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.43
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