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Chemical ID: 7744607

Cc1ccccc1NC(=O)CSc2nnc3n2nc(c(=O)[nH]3)c4ccc(cc4)OC

Chemical ID:

7744607

Name [?]:

None

SMILES [?]:

Cc1ccccc1NC(=O)CSc2nnc3n2nc(c(=O)[nH]3)c4ccc(cc4)OC

InChi [?]:

InChI=1/C20H18N6O3S/c1-12-5-3-4-6-15(12)21-16(27)11-30-20-24-23-19-22-18(28)17(25-26(19)20)13-7-9-14(29-2)10-8-13/h3-10H,11H2,1-2H3,(H,21,27)(H,22,23,28)

InChi Info:

AuxInfo=1/1/N:1,30,4,5,3,6,24,28,25,27,11,2,23,26,7,9,19,20,16,13,8,22,15,14,18,17,10,21,29,12/E:(7,8)(9,10)/rA:30nCCCCCCCNCOCSCNNCNNCCONCCCCCCOC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈N₆O₃S
All Atoms:	48
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	11.4276
Area:	642.504
Solvation:	-4.63503
Coulombic:	-62.3067

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.7
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