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Chemical ID: 4676530
Chemical ID:
4676530
Name [?]:
5-[(4-dimethylaminophenyl)methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4
InChi [?]:
InChI=1/C24H21N3OS/c1-26(2)20-15-13-18(14-16-20)17-22-23(28)27(21-11-7-4-8-12-21)24(29-22)25-19-9-5-3-6-10-19/h3-17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,27,19,21,26,28,18,22,25,29,6,8,5,9,10,7,17,4,24,11,12,15,16,2,14,13,23/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:29nCNCCCCCCCCCCONCNCCCCCCSCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s11s15;s14;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21N3OS |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5109 |
Area: | 569.597 |
Solvation: | -2.72906 |
Coulombic: | -32.8156 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 399.509 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.01 |
LogP (Chemaxon): | 6.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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