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Chemical ID: 6463351
Chemical ID:
6463351
Name [?]:
3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-5-[(4-methoxy-1-naphthyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(c4c3cccc4)OC)S2)c5ccc(cc5)CC
InChi [?]:
InChI=1/C31H28N2O2S/c1-4-21-10-15-24(16-11-21)32-31-33(25-17-12-22(5-2)13-18-25)30(34)29(36-31)20-23-14-19-28(35-3)27-9-7-6-8-26(23)27/h6-20H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,36,27,2,35,23,24,22,25,4,8,31,33,17,5,7,30,34,18,15,3,32,16,6,29,21,20,19,14,12,10,9,11,13,26,28/E:(10,11)(12,13)(15,16)(17,18)/rA:36nCCCCCCCCNCNCOCCCCCCCCCCCCOCSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s19;s26;s10s14;s11;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H28N2O2S |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6104 |
Area: | 682.054 |
Solvation: | -3.44097 |
Coulombic: | -35.3053 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 492.632 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.78 |
LogP (Chemaxon): | 8.76 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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