Chemical ID: 7321220

CCCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)NC4CCC(CC4)C
Chemical ID:
7321220
Name [?]:
None
SMILES [?]:
CCCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)NC4CCC(CC4)C
InChi [?]:
InChI=1/C21H27N5O2S/c1-3-12-25-19(28)16-6-4-5-7-17(16)26-20(25)23-24-21(26)29-13-18(27)22-15-10-8-14(2)9-11-15/h4-7,14-15H,3,8-13H2,1-2H3,(H,22,27)
InChi Info:
AuxInfo=1/1/N:1,29,2,9,10,8,11,25,27,24,28,3,19,26,23,7,12,20,5,14,17,22,15,16,4,13,21,6,18/E:(8,9)(10,11)/rA:29nCCCNCOCCCCCCNCNNCSCCONCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s4s13;d14;s15;s13d16;s17;s18;s19;d20;s20;s22;s23;s24;s25;s26;s23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N5O2S
All Atoms:56
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.2327
Area:637.991
Solvation:-2.71709
Coulombic:-52.5095
Bond Count [?]
All:32
Single:25
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:413.538
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.28
LogP (Chemaxon):3.05

Name Annotations

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Descriptor Annotations

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