Chemical ID: 4623581

CC(C)c1c2c(c3c4c(c(ncn4)NCCN(C)C)sc3n1)CCCC2
Chemical ID:
4623581
Name [?]:
None
SMILES [?]:
CC(C)c1c2c(c3c4c(c(ncn4)NCCN(C)C)sc3n1)CCCC2
InChi [?]:
InChI=1/C20H27N5S/c1-12(2)16-14-8-6-5-7-13(14)15-17-18(26-20(15)24-16)19(23-11-22-17)21-9-10-25(3)4/h11-12H,5-10H2,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,24,25,23,26,15,16,12,2,6,5,7,4,8,9,10,21,14,13,11,22,17,20/E:(1,2)(3,4)/rA:26nCCCCCCCCCCNCNNCCNCCSCNCCCC/rB:s1;s2;s2;s4;d5;s6;s7;s8;d9;s10;d11;d8s12;s10;s14;s15;s16;s17;s17;s9;d7s20;d4s21;s6;s23;s24;s5s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.6486
Area:585.484
Solvation:-1.98852
Coulombic:-33.8715
Bond Count [?]
All:29
Single:23
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:369.528
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.11
LogP (Chemaxon):4.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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