Chemical ID: 6138563

c1ccc2c(c1)cccc2C(=O)CSc3nnc4n3c5ccccc5s4
Chemical ID:
6138563
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)CSc3nnc4n3c5ccccc5s4
InChi [?]:
InChI=1/C20H13N3OS2/c24-17(15-9-5-7-13-6-1-2-8-14(13)15)12-25-19-21-22-20-23(19)16-10-3-4-11-18(16)26-20/h1-11H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,22,23,8,6,7,3,9,21,24,13,5,4,10,20,11,25,15,18,16,17,19,12,14,26/rA:26nCCCCCCCCCCCOCSCNNCNCCCCCCS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s19;s20;d21;s22;d23;d20s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13N3OS2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7449
Area:564.415
Solvation:-2.36552
Coulombic:-24.2316
Bond Count [?]
All:30
Single:19
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:375.469
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.18
LogP (Chemaxon):4.75

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Descriptor Annotations

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