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Chemical ID: 6862263
Chemical ID:
6862263
Name [?]:
None
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)CSc2nnc3n2c4ccccc4cc3
InChi [?]:
InChI=1/C20H19N5OS/c1-24(2)16-10-8-15(9-11-16)21-19(26)13-27-20-23-22-18-12-7-14-5-3-4-6-17(14)25(18)20/h3-12H,13H2,1-2H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,21,26,6,8,5,9,27,13,25,7,4,20,18,11,15,10,17,16,2,19,12,14/E:(1,2)(8,9)(10,11)/rA:27nCNCCCCCCCNCOCSCNNCNCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s19;s20;d21;s22;d23;d20s24;s25;s18d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N5OS |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4098 |
Area: | 590.648 |
Solvation: | -3.35639 |
Coulombic: | -39.003 |
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: | 3 |
XLogP: | 4.56 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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