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Chemical ID: 4778298
Chemical ID:
4778298
Name [?]:
2-[2-(4-cyclohexylphenyl)imino-4-oxo-thiazolidin-5-yl]-N-[4-(trifluoromethoxy)phenyl]-acetamide
SMILES [?]:
c1cc(ccc1C2CCCCC2)N=C3NC(=O)C(S3)CC(=O)Nc4ccc(cc4)OC(F)(F)F
InChi [?]:
InChI=1/C24H24F3N3O3S/c25-24(26,27)33-19-12-10-17(11-13-19)28-21(31)14-20-22(32)30-23(34-20)29-18-8-6-16(7-9-18)15-4-2-1-3-5-15/h6-13,15,20H,1-5,14H2,(H,28,31)(H,29,30,32)
InChi Info:
AuxInfo=1/1/N:10,9,11,8,12,1,5,2,4,25,29,26,28,20,7,6,24,3,27,18,21,16,14,31,32,33,34,23,13,15,22,17,30,19/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(25,26,27)/rA:34cCCCCCCCCCCCCNCNCOCSCCONCCCCCCOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s3;w13;s14;s15;d16;s16;s14s18;s18;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;s30;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24F3N3O3S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.8276 |
Area: | 700.85 |
Solvation: | -3.69359 |
Coulombic: | -79.3684 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 491.527 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.66 |
LogP (Chemaxon): | 6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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