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Chemical ID: 6138803
Chemical ID:
6138803
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CSc2nnc3n2c4ccccc4s3
InChi [?]:
InChI=1/C18H16N4O2S2/c1-2-24-13-9-7-12(8-10-13)19-16(23)11-25-17-20-21-18-22(17)14-5-3-4-6-15(14)26-18/h3-10H,2,11H2,1H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,2,22,23,21,24,6,8,5,9,13,7,4,20,25,11,15,18,10,16,17,19,12,3,14,26/E:(7,8)(9,10)/rA:26nCCOCCCCCCNCOCSCNNCNCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s19;s20;d21;s22;d23;d20s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N4O2S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2018 |
Area: | 594.39 |
Solvation: | -3.65796 |
Coulombic: | -41.2474 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.477 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.66 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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