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Chemical ID: 7710487

CC1=C(C(n2c(nc(n2)c3ccncc3)N1)c4cccs4)C(=O)Nc5ccccc5OC

Chemical ID:

7710487

Name [?]:

None

SMILES [?]:

CC1=C(C(n2c(nc(n2)c3ccncc3)N1)c4cccs4)C(=O)Nc5ccccc5OC

InChi [?]:

InChI=1/C23H20N6O2S/c1-14-19(22(30)26-16-6-3-4-7-17(16)31-2)20(18-8-5-13-32-18)29-23(25-14)27-21(28-29)15-9-11-24-12-10-15/h3-13,20H,1-2H3,(H,26,30)(H,25,27,28)

InChi Info:

AuxInfo=1/1/N:1,32,27,28,19,26,29,18,11,15,12,14,20,2,10,25,30,17,3,4,8,22,6,13,16,24,7,9,5,23,31,21/E:(9,10)(11,12)/rA:32cCCCCNCNCNCCCNCCNCCCCSCONCCCCCCOC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s2s6;s4;d17;s18;d19;s17s20;s3;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀N₆O₂S
All Atoms:	52
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	11.2178
Area:	613.396
Solvation:	-4.11712
Coulombic:	-58.197

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.84
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