Chemical ID: 5806953

CC(C)n1c2ccccc2c3c1nc(nn3)SCC(=O)N4CCCCC4
Chemical ID:
5806953
Name [?]:
None
SMILES [?]:
CC(C)n1c2ccccc2c3c1nc(nn3)SCC(=O)N4CCCCC4
InChi [?]:
InChI=1/C19H23N5OS/c1-13(2)24-15-9-5-4-8-14(15)17-18(24)20-19(22-21-17)26-12-16(25)23-10-6-3-7-11-23/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,24,8,7,23,25,9,6,22,26,18,2,10,5,19,11,12,14,13,16,15,21,4,20,17/E:(1,2)(6,7)(10,11)/rA:26nCCCNCCCCCCCCNCNNSCCONCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s13;d14;d11s15;s14;s17;s18;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N5OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.0499
Area:581.214
Solvation:-2.48042
Coulombic:-35.2072
Bond Count [?]
All:29
Single:22
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.485
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.64
LogP (Chemaxon):3.12

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Experimental Annotations

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Descriptor Annotations

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