Chemical ID: 7295364

Cc1cc(cc(c1)N(CCC#N)C(=O)CSc2nnc3n2c4ccccc4s3)C
Chemical ID:
7295364
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1)N(CCC#N)C(=O)CSc2nnc3n2c4ccccc4s3)C
InChi [?]:
InChI=1/C21H19N5OS2/c1-14-10-15(2)12-16(11-14)25(9-5-8-22)19(27)13-28-20-23-24-21-26(20)17-6-3-4-7-18(17)29-21/h3-4,6-7,10-12H,5,9,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,25,10,23,26,11,9,3,7,5,15,2,4,6,22,27,13,17,20,12,18,19,8,21,14,16,28/E:(1,2)(11,12)(14,15)/rA:29nCCCCCCCNCCCNCOCSCNNCNCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;t11;s8;d13;s13;s15;s16;d17;s18;d19;s17s20;s21;s22;d23;s24;d25;d22s26;s20s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N5OS2
All Atoms:48
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.8331
Area:657.887
Solvation:-3.61403
Coulombic:-31.3774
Bond Count [?]
All:32
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:421.541
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.99
LogP (Chemaxon):4.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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