Chemical ID: 4630509

CN1CCc2c(sc3c2c(=O)n(c(n3)SCC(=O)Nc4ccccc4)c5ccccc5)C1
Chemical ID:
4630509
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)SCC(=O)Nc4ccccc4)c5ccccc5)C1
InChi [?]:
InChI=1/C24H22N4O2S2/c1-27-13-12-18-19(14-27)32-22-21(18)23(30)28(17-10-6-3-7-11-17)24(26-22)31-15-20(29)25-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,23,29,22,24,28,30,21,25,27,31,4,3,32,16,20,26,5,6,17,9,8,10,13,19,14,2,12,18,11,15,7/E:(4,5)(6,7)(8,9)(10,11)/rA:32cCNCCCCSCCCONCNSCCONCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s12;s26;d27;s28;d29;d26s30;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22N4O2S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.043
Area:669.583
Solvation:-3.69654
Coulombic:-49.4506
Bond Count [?]
All:36
Single:25
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:462.589
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.12
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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