Chemical ID: 5273798

CN1CCc2c(sc3c2c(=O)n(c(n3)SCCc4ccccc4)c5ccccc5)C1
Chemical ID:
5273798
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)SCCc4ccccc4)c5ccccc5)C1
InChi [?]:
InChI=1/C24H23N3OS2/c1-26-14-12-19-20(16-26)30-22-21(19)23(28)27(18-10-6-3-7-11-18)24(25-22)29-15-13-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,27,20,22,26,28,19,23,25,29,4,17,3,16,30,18,24,5,6,9,8,10,13,14,2,12,11,15,7/E:(4,5)(6,7)(8,9)(10,11)/rA:30cCNCCCCSCCCONCNSCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s12;s24;d25;s26;d27;d24s28;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23N3OS2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.8294
Area:646.206
Solvation:-2.3258
Coulombic:-31.4484
Bond Count [?]
All:34
Single:24
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:433.591
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.45
LogP (Chemaxon):5.47

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Descriptor Annotations

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