Chemical ID: 5604649

Cc1nc(c2c3c(sc2n1)CCCC3)NN=Cc4ccc(cc4)N(C)C
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

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