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Chemical ID: 7672609

Cc1cc(no1)NC(=O)CSc2c3c(nc(n2)c4ccccc4)n(c(=O)n(c3=O)C)C

Chemical ID:

7672609

Name [?]:

None

SMILES [?]:

Cc1cc(no1)NC(=O)CSc2c3c(nc(n2)c4ccccc4)n(c(=O)n(c3=O)C)C

InChi [?]:

InChI=1/C20H18N6O4S/c1-11-9-13(24-30-11)21-14(27)10-31-18-15-17(25(2)20(29)26(3)19(15)28)22-16(23-18)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,21,24,27)

InChi Info:

AuxInfo=1/1/N:1,31,30,21,20,22,19,23,3,10,2,18,4,8,13,16,14,12,28,25,7,15,17,5,24,27,9,29,26,6,11/E:(5,6)(7,8)/rA:31nCCCCNONCOCSCCCNCNCCCCCCNCONCOCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s20;d21;d18s22;s14;s24;d25;s25;s13s27;d28;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈N₆O₄S
All Atoms:	49
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	11.5981
Area:	646.978
Solvation:	-4.5764
Coulombic:	-70.3667

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.82
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