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Chemical ID: 5804299
Chemical ID:
5804299
Name [?]:
3-cyclopentyl-5-[(4-hydroxyphenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)O)S2)C4CCCC4
InChi [?]:
InChI=1/C21H20N2O2S/c24-18-12-10-15(11-13-18)14-19-20(25)23(17-8-4-5-9-17)21(26-19)22-16-6-2-1-3-7-16/h1-3,6-7,10-14,17,24H,4-5,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,24,25,3,5,23,26,15,19,16,18,13,14,4,22,17,12,10,8,7,9,20,11,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCNCNCOCCCCCCCCOSCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s9;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7589 |
Area: | 532.101 |
Solvation: | -2.54358 |
Coulombic: | -42.7448 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 364.462 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.09 |
LogP (Chemaxon): | 5.5 |
Name Annotations
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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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