Chemical ID: 4780122

c1cc(ccc1c2ncc3c(n2)-c4ccsc4SC3)C(=O)N
Chemical ID:
4780122
Name [?]:
None
SMILES [?]:
c1cc(ccc1c2ncc3c(n2)-c4ccsc4SC3)C(=O)N
InChi [?]:
InChI=1/C16H11N3OS2/c17-14(20)9-1-3-10(4-2-9)15-18-7-11-8-22-16-12(5-6-21-16)13(11)19-15/h1-7H,8H2,(H2,17,20)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,14,15,9,19,3,6,10,13,11,20,7,17,22,8,12,21,16,18/E:(1,2)(3,4)/rA:22nCCCCCCCNCCCNCCCSCSCCON/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d13s16;s17;s10s18;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11N3OS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0042
Area:504.273
Solvation:-2.60261
Coulombic:-38.9022
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:325.41
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.82
LogP (Chemaxon):2.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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