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Chemical ID: 4647694
Chemical ID:
4647694
Name [?]:
5-[(2-chlorophenyl)methylene]-3-cyclopentyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3Cl)S2)C4CCCC4
InChi [?]:
InChI=1/C21H19ClN2OS/c22-18-13-7-4-8-15(18)14-19-20(25)24(17-11-5-6-12-17)21(26-19)23-16-9-2-1-3-10-16/h1-4,7-10,13-14,17H,5-6,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,24,25,17,15,3,5,23,26,18,13,14,4,22,19,12,10,8,20,7,9,11,21/E:(2,3)(5,6)(9,10)(11,12)/rA:26nCCCCCCNCNCOCCCCCCCCClSCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s8s12;s9;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19ClN2OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0285 |
Area: | 545.004 |
Solvation: | -1.59657 |
Coulombic: | -28.0528 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 382.907 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.11 |
LogP (Chemaxon): | 6.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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