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Chemical ID: 5802192
Chemical ID:
5802192
Name [?]:
5-[[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1cccc(c1OCc2ccccc2Cl)C=C3C(=O)N(C(=Nc4ccccc4)S3)c5ccccc5
InChi [?]:
InChI=1/C30H23ClN2O3S/c1-35-26-18-10-12-21(28(26)36-20-22-11-8-9-17-25(22)31)19-27-29(34)33(24-15-6-3-7-16-24)30(37-27)32-23-13-4-2-5-14-23/h2-19H,20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,35,27,29,34,36,13,14,5,12,6,26,30,33,37,15,4,18,10,7,11,25,32,16,3,19,8,20,23,17,24,22,21,2,9,31/E:(4,5)(6,7)(13,14)(15,16)/rA:37nCOCCCCCCOCCCCCCCClCCCONCNCCCCCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s7;w18;s19;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s19s23;s22;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H23ClN2O3S |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4467 |
Area: | 713.883 |
Solvation: | -4.40041 |
Coulombic: | -44.2409 |
Bond Count [?]
All: | 41 |
Single: | 26 |
Double: | 15 |
Rotors: | 7 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 527.034 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 6.69 |
LogP (Chemaxon): | 8.07 |
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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