Chemical ID: 6452946

Cc1ccccc1N=C2N(C(=O)C(=C3c4cc(cc(c4NC3=O)C)C)S2)c5ccccc5C
Chemical ID:
6452946
Name [?]:
5,7-dimethyl-3-[3-(o-tolyl)-2-(o-tolylimino)-4-oxo-thiazolidin-5-ylidene]-indolin-2-one
SMILES [?]:
Cc1ccccc1N=C2N(C(=O)C(=C3c4cc(cc(c4NC3=O)C)C)S2)c5ccccc5C
InChi [?]:
InChI=1/C27H23N3O2S/c1-15-13-18(4)23-19(14-15)22(25(31)29-23)24-26(32)30(21-12-8-6-10-17(21)3)27(33-24)28-20-11-7-5-9-16(20)2/h5-14H,1-4H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:25,1,33,24,4,30,5,29,3,31,6,28,18,16,17,2,32,19,15,7,27,14,20,13,22,11,9,8,21,10,23,12,26/rA:33nCCCCCCCNCNCOCCCCCCCCNCOCCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s14s21;d22;s19;s17;s9s13;s10;s27;d28;s29;d30;d27s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H23N3O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.5083
Area:603.374
Solvation:-2.57608
Coulombic:-46.4781
Bond Count [?]
All:37
Single:24
Double:13
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:453.557
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.78
LogP (Chemaxon):6.38

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