Chemical ID: 6911979

Cc1ccc(cc1)NC(=O)CSc2nnc3n2c4ccccc4cc3
Chemical ID:
6911979
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nnc3n2c4ccccc4cc3
InChi [?]:
InChI=1/C19H16N4OS/c1-13-6-9-15(10-7-13)20-18(24)12-25-19-22-21-17-11-8-14-4-2-3-5-16(14)23(17)19/h2-11H,12H2,1H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,3,7,24,4,6,25,11,2,23,5,18,16,9,13,8,15,14,17,10,12/E:(6,7)(9,10)/rA:25nCCCCCCCNCOCSCNNCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;d19;s20;d21;d18s22;s23;s16d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N4OS
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8093
Area:546.871
Solvation:-2.86251
Coulombic:-33.5564
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:348.423
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.78
LogP (Chemaxon):4.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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