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Chemical ID: 5604649
Chemical ID:
5604649
Name [?]:
None
SMILES [?]:
Cc1nc(c2c3c(sc2n1)CCCC3)NN=Cc4ccc(cc4)N(C)C
InChi [?]:
InChI=1/C20H23N5S/c1-13-22-19(18-16-6-4-5-7-17(16)26-20(18)23-13)24-21-12-14-8-10-15(11-9-14)25(2)3/h8-12H,4-7H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,26,13,12,14,11,19,23,20,22,17,2,18,21,6,7,5,4,9,16,3,10,15,24,8/E:(2,3)(8,9)(10,11)/rA:26nCCNCCCCSCNCCCCNNCCCCCCCNCC/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s7;s11;s12;s6s13;s4;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N5S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5205 |
Area: | 570.65 |
Solvation: | -2.74578 |
Coulombic: | -27.2689 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 365.496 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.54 |
LogP (Chemaxon): | 5.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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