Chemical ID: 4648861

CCCc1c2c(c3c4c(c(ncn4)SCC(=O)Nc5ccc(c(c5)Cl)Cl)sc3n1)CCCC2
Chemical ID:
4648861
Name [?]:
None
SMILES [?]:
CCCc1c2c(c3c4c(c(ncn4)SCC(=O)Nc5ccc(c(c5)Cl)Cl)sc3n1)CCCC2
InChi [?]:
InChI=1/C24H22Cl2N4OS2/c1-2-5-18-14-6-3-4-7-15(14)20-21-22(33-23(20)30-18)24(28-12-27-21)32-11-19(31)29-13-8-9-16(25)17(26)10-13/h8-10,12H,2-7,11H2,1H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,2,32,31,3,33,30,20,21,24,15,12,19,5,6,22,23,4,16,7,8,9,28,10,26,25,13,11,18,29,17,14,27/rA:33nCCCCCCCCCCNCNSCCONCCCCCCClClSCNCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;d8s12;s10;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;s9;d7s27;d4s28;s6;s30;s31;s5s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22Cl2N4OS2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:15.1295
Area:731.298
Solvation:-3.15297
Coulombic:-37.9917
Bond Count [?]
All:37
Single:27
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:517.495
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.7
LogP (Chemaxon):7.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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