Chemical ID: 4789718

CCCCc1c2c(c3c4c(c(ncn4)N(CCO)CCO)sc3n1)CCC2
Chemical ID:
4789718
Name [?]:
None
SMILES [?]:
CCCCc1c2c(c3c4c(c(ncn4)N(CCO)CCO)sc3n1)CCC2
InChi [?]:
InChI=1/C20H26N4O2S/c1-2-3-7-15-13-5-4-6-14(13)16-17-18(27-20(16)23-15)19(22-12-21-17)24(8-10-25)9-11-26/h12,25-26H,2-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,26,27,25,4,16,19,17,20,13,6,7,5,8,9,10,11,23,14,12,24,15,18,21,22/E:(8,9)(10,11)(25,26)/rA:27nCCCCCCCCCCCNCNNCCOCCOSCNCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;d9s13;s11;s15;s16;s17;s15;s19;s20;s10;d8s22;d5s23;s7;s25;s6s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.66492
Area:580.758
Solvation:-4.85403
Coulombic:-55.3931
Bond Count [?]
All:30
Single:24
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.512
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.67
LogP (Chemaxon):4.35

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