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Chemical ID: 7744620

Cc1cccc(c1NC(=O)CSc2nnc3n2nc(c(=O)[nH]3)c4ccc(cc4)OC)C

Chemical ID:

7744620

Name [?]:

None

SMILES [?]:

Cc1cccc(c1NC(=O)CSc2nnc3n2nc(c(=O)[nH]3)c4ccc(cc4)OC)C

InChi [?]:

InChI=1/C21H20N6O3S/c1-12-5-4-6-13(2)17(12)22-16(28)11-31-21-25-24-20-23-19(29)18(26-27(20)21)14-7-9-15(30-3)10-8-14/h4-10H,11H2,1-3H3,(H,22,28)(H,23,24,29)

InChi Info:

AuxInfo=1/1/N:1,31,30,4,3,5,24,28,25,27,11,2,6,23,26,9,7,19,20,16,13,8,22,15,14,18,17,10,21,29,12/E:(1,2)(5,6)(7,8)(9,10)(12,13)/rA:31nCCCCCCCNCOCSCNNCNNCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;d18;s19;d20;s16s20;s19;s23;d24;s25;d26;d23s27;s26;s29;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₆O₃S
All Atoms:	51
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	11.5878
Area:	659.807
Solvation:	-4.90741
Coulombic:	-61.8028

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.93
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