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Chemical ID: 6156387
Chemical ID:
6156387
Name [?]:
2-[4-[[2,4-dioxo-3-(p-tolylmethyl)thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CN2C(=O)C(=Cc3ccc(c(c3)OC)OCC(=O)Nc4ccccc4C)SC2=O
InChi [?]:
InChI=1/C28H26N2O5S/c1-18-8-10-20(11-9-18)16-30-27(32)25(36-28(30)33)15-21-12-13-23(24(14-21)34-3)35-17-26(31)29-22-7-5-4-6-19(22)2/h4-15H,16-17H2,1-3H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,33,21,30,29,31,28,3,7,4,6,15,16,19,13,8,23,2,32,5,14,27,17,18,12,24,10,35,26,9,25,11,36,20,22,34/E:(8,9)(10,11)/rA:36nCCCCCCCCNCOCCCCCCCCOCOCCONCCCCCCCSCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s32;s12;s9s34;d35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26N2O5S |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8542 |
Area: | 746.476 |
Solvation: | -7.80773 |
Coulombic: | -63.8866 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 502.583 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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