Chemical ID: 6822110

CCCCCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nccs5
Chemical ID:
6822110
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nccs5
InChi [?]:
InChI=1/C27H26N2O5S/c1-3-5-8-14-33-20-12-11-17(16-21(20)32-4-2)23-22-24(30)18-9-6-7-10-19(18)34-25(22)26(31)29(23)27-28-13-15-35-27/h6-7,9-13,15-16,23H,3-5,8,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,14,3,22,23,4,21,24,9,8,33,5,34,11,10,20,25,7,12,17,16,18,27,28,31,32,30,19,29,13,6,26,35/rA:35cCCCCCOCCCCCCOCCCCCOCCCCCCOCCONCNCCS/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s10;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d17s26;s27;d28;s16s28;s30;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26N2O5S
All Atoms:61
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.5639
Area:730.95
Solvation:-6.70986
Coulombic:-55.0794
Bond Count [?]
All:39
Single:28
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:490.572
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.46
LogP (Chemaxon):5.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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