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Chemical ID: 3862778
Chemical ID:
3862778
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)NC(=O)CSc2nc3c(c4ccccc4n3C)nn2
InChi [?]:
InChI=1/C20H19N5OS/c1-3-13-8-10-14(11-9-13)21-17(26)12-27-20-22-19-18(23-24-20)15-6-4-5-7-16(15)25(19)2/h4-11H,3,12H2,1-2H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,25,2,20,21,19,22,4,8,5,7,12,3,6,18,23,10,17,16,14,9,15,26,27,24,11,13/E:(8,9)(10,11)/rA:27nCCCCCCCCNCOCSCNCCCCCCCCNCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;s17;s18;d19;s20;d21;d18s22;s16s23;s24;d17;d14s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N5OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1614 |
Area: | 602.535 |
Solvation: | -2.90197 |
Coulombic: | -39.777 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 377.464 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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