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Chemical ID: 6452703
Chemical ID:
6452703
Name [?]:
5-[(2-ethoxy-1-naphthyl)methylene]-3-(p-tolyl)-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
CCOc1ccc2ccccc2c1C=C3C(=O)N(C(=Nc4ccc(cc4)C)S3)c5ccc(cc5)C
InChi [?]:
InChI=1/C30H26N2O2S/c1-4-34-27-18-13-22-7-5-6-8-25(22)26(27)19-28-29(33)32(24-16-11-21(3)12-17-24)30(35-28)31-23-14-9-20(2)10-15-23/h5-19H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,35,2,9,10,8,11,23,25,31,33,6,22,26,30,34,5,14,24,32,7,21,29,12,13,4,15,16,19,20,18,17,3,28/E:(9,10)(11,12)(14,15)(16,17)/rA:35nCCOCCCCCCCCCCCCCONCNCCCCCCCSCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s13;w14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s24;s15s19;s18;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H26N2O2S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5184 |
Area: | 631.577 |
Solvation: | -3.27099 |
Coulombic: | -33.9839 |
Bond Count [?]
All: | 39 |
Single: | 25 |
Double: | 14 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 478.606 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.28 |
LogP (Chemaxon): | 8.31 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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