Chemical ID: 6139244

C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc4c(c5c(s4)CCCC5)C#N)CCC3
Chemical ID:
6139244
Name [?]:
None
SMILES [?]:
C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc4c(c5c(s4)CCCC5)C#N)CCC3
InChi [?]:
InChI=1/C23H22N4O2S3/c1-2-10-27-22(29)19-14-7-5-9-17(14)32-21(19)26-23(27)30-12-18(28)25-20-15(11-24)13-6-3-4-8-16(13)31-20/h2H,1,3-10,12H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,31,27,32,24,30,3,28,15,21,8,20,22,9,16,7,19,11,5,13,29,18,12,4,17,6,14,23,10/rA:32nCCCNCOCCCSCNCSCCONCCCCSCCCCCNCCC/rB:d1;s2;s3;s4;d5;s5;s7;d8;s9;d7s10;s11;s4d12;s13;s14;s15;d16;s16;s18;d19;s20;d21;s19s22;s22;s24;s25;s21s26;s20;t28;s9;s30;s8s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N4O2S3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.2844
Area:703.988
Solvation:-3.31527
Coulombic:-48.1391
Bond Count [?]
All:36
Single:27
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:482.645
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.7
LogP (Chemaxon):4.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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