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Chemical ID: 7739272

Cc1cc(c2c(c1)nc(s2)N(Cc3cccnc3)C(=O)c4ccc(cc4)C#N)C

Chemical ID:

7739272

Name [?]:

None

SMILES [?]:

Cc1cc(c2c(c1)nc(s2)N(Cc3cccnc3)C(=O)c4ccc(cc4)C#N)C

InChi [?]:

InChI=1/C23H18N4OS/c1-15-10-16(2)21-20(11-15)26-23(29-21)27(14-18-4-3-9-25-13-18)22(28)19-7-5-17(12-24)6-8-19/h3-11,13H,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,29,15,14,23,25,22,26,16,3,7,27,18,12,2,4,24,13,21,6,5,19,9,28,17,8,11,20,10/E:(5,6)(7,8)/rA:29nCCCCCCCNCSNCCCCCNCCOCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;d19;s19;s21;d22;s23;d24;d21s25;s24;t27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈N₄OS
All Atoms:	47
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	11.6717
Area:	604.843
Solvation:	-3.44936
Coulombic:	-32.3917

Bond Count [?]

All:	32
Single:	20
Double:	11
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.89
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