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Chemical ID: 7710336

CC1=C(C(n2c(nc(n2)c3cccc(c3)OC)N1)c4cccs4)C(=O)Nc5cccnc5

Chemical ID:

7710336

Name [?]:

None

SMILES [?]:

CC1=C(C(n2c(nc(n2)c3cccc(c3)OC)N1)c4cccs4)C(=O)Nc5cccnc5

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,17,12,29,21,11,28,13,20,30,22,15,32,2,10,27,14,19,3,4,8,24,6,31,18,26,7,9,5,25,16,23/rA:32cCCCCNCNCNCCCCCCOCNCCCCSCONCCCCNC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s14;s16;s2s6;s4;d19;s20;d21;s19s22;s3;d24;s24;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.15
Area:	636.345
Solvation:	-4.75867
Coulombic:	-57.7934

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