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Chemical ID: 7736097

CCc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc(cc3)OC

Chemical ID:

7736097

Name [?]:

None

SMILES [?]:

CCc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C21H21N3O4S/c1-3-15-4-6-17(7-5-15)23-21(25)16-12-18(14-22-13-16)24-29(26,27)20-10-8-19(28-2)9-11-20/h4-14,24H,3H2,1-2H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,29,2,4,8,5,7,24,26,23,27,13,17,15,3,12,6,14,25,22,10,16,9,18,11,20,21,28,19/E:(4,5)(6,7)(8,9)(10,11)(26,27)/CRV:29.6/rA:29nCCCCCCCCNCOCCCCNCNSOOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s14;s18;d19;d19;s19;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁N₃O₄S
All Atoms:	50
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	11.0351
Area:	629.637
Solvation:	-4.70579
Coulombic:	-45.092

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.25
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